SCHEMBL607172

SCHEMBL607172

CC(C)CC(=O)NCCO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ALDH1A1 P00352 5/20 0.47
HPGD P15428 3/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.42
PSMB5 P28074 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
PTPN1 P18031 1/20 0.39
CNR1 P21554 1/20 0.39
HTT P42858 1/20 0.39
GAA P10253 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18908668 0.87 SMN1; SMN2 (0.59) TP53SMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL22203821 0.87 SMN1; SMN2 (0.47) TP53SMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL4845341 0.86 SMN1; SMN2 (0.59) TP53SMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL3831548 0.84 ALDH1A1 (0.48) TP53SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL20340484 0.83 SMN1; SMN2 (0.66) TP53SMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL18199495 0.83 SMN1; SMN2 (0.66) TP53SMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL1577892 0.81 SMN1; SMN2 (0.53) TP53SMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL5866799 0.81 SMN1; SMN2 (0.53) TP53SMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL607171 0.81 SMN1; SMN2 (0.53) TP53SMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL13071570 0.80 CYP3A4 (0.42) TP53SMN1; SMN2ALDH1A1HPGDKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 139 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1492536-B1 4-(N-PHENYLAMINO)-QUINAZOLINES / QUINOLINES AS TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA (DE) 2012-05-09 EP claimed
US-7119084-B2 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-10 US claimed
US-20050182043-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-18 US claimed
US-6924285-B2 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. (DE) 2005-08-02 US claimed
US-20040048880-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-11 US claimed
US-11802132-B2 Small molecules for inducing selective protein degradation and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-10-31 US disclosed
US-20230203032-A1 NAPHTHYRIDINONE DERIVATIVES FOR THE TREATMENT OF A DISEASE OR DISORDER NOVARTIS AG (CH) 2023-06-29 US disclosed
US-20230174540-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2023-06-08 US disclosed
WO-2023017452-A1 SMALL MOLECULE UREA DERIVATIVES AS STING ANTAGONISTS CURADEV PHARMA PVT. LTD. (IN) 2023-02-16 WO disclosed
US-20210206779-A9 CYANO THIENOTRIAZOLODIAZEPINES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-07-08 US disclosed
US-20210179627-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2021-06-17 US disclosed
US-20200407371-A1 SMALL MOLECULES FOR INDUCING SELECTIVE PROTEIN DEGRADATION AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-12-31 US disclosed
US-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity SHIONOGI & CO., LTD. (JP) 2009-06-04 US disclosed
WO-2009024611-A2 4-BENZYLAMINOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE ABBOTT GMBH & CO. KG (DE) 2009-02-26 WO disclosed
US-20090036676-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them HIMMELSBACH FRANK 2009-02-05 US disclosed
US-20060270672-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them HIMMELSBACH FRANK 2006-11-30 US disclosed
US-7119084-B2 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-10 US disclosed
US-20050182043-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-18 US disclosed
US-6924285-B2 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. (DE) 2005-08-02 US disclosed
US-20040048880-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210206779-A9 CYANO THIENOTRIAZOLODIAZEPINES AND USES THEREOF BRDT, BRD4, BRD3 TP53 1072/4885SMN1; SMN2 4697/4885ALDH1A1 4304/4885
US-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity ERBB2, EGFR, ABL1 TP53 966/4885SMN1; SMN2 4182/4885ALDH1A1 4593/4885
US-20060270672-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them CYP11B2, CYP11B1, HPGD TP53 722/4885SMN1; SMN2 2655/4885ALDH1A1 731/4885
US-20210179627-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, PKD2 TP53 4274/4885SMN1; SMN2 490/4885ALDH1A1 256/4885
US-20200407371-A1 SMALL MOLECULES FOR INDUCING SELECTIVE PROTEIN DEGRADATION AND USES THEREOF BAZ2A, BRD3, BRPF3 TP53 345/4885SMN1; SMN2 3849/4885ALDH1A1 4164/4885
US-20230203032-A1 NAPHTHYRIDINONE DERIVATIVES FOR THE TREATMENT OF A DISEASE OR DISORDER PKD1, PKD2, ASAH2 TP53 2407/4885SMN1; SMN2 17/4885ALDH1A1 1027/4885
US-20090036676-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them CYP11B2, CYP11B1, HPGD TP53 722/4885SMN1; SMN2 2655/4885ALDH1A1 731/4885
US-11802132-B2 Small molecules for inducing selective protein degradation and uses thereof BAZ2A, BRD3, BRPF3 TP53 345/4885SMN1; SMN2 3849/4885ALDH1A1 4164/4885
US-20230174540-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, PKD2 TP53 4274/4885SMN1; SMN2 490/4885ALDH1A1 256/4885
US-20050182043-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them CYP11B2, CYP11B1, HPGD TP53 722/4885SMN1; SMN2 2655/4885ALDH1A1 731/4885
US-20040048880-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them CYP11B1, AR, CYP11B2 TP53 1531/4885SMN1; SMN2 4567/4885ALDH1A1 1933/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.