SCHEMBL581489

SCHEMBL581489

CC(C)(C)NC(=O)c1ccco1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
LMNA P02545 1/20 0.54
POLB P06746 1/20 0.54
ALOX15 P16050 1/20 0.54
HSD17B10 Q99714 1/20 0.54
RAB9A P51151 4/20 0.53
ALDH1A1 P00352 2/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
TP53 P04637 1/20 0.53
GAA P10253 1/20 0.53
KDM4E B2RXH2 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.53
CYP2C19 P33261 1/20 0.53
GLA P06280 1/20 0.52
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
NPC1 O15118 2/20 0.51

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
SCHEMBL13219550 0.83 KMT2A (0.78) MEN1KMT2APOLBRAB9AALDH1A1
SCHEMBL23801091 0.82 MEN1 (0.60) MEN1KMT2ALMNAPOLBALOX15
SCHEMBL755125 0.82 MEN1 (0.60) MEN1KMT2ALMNAPOLBALOX15
SCHEMBL8174177 0.81 SMN1; SMN2 (0.57) MEN1KMT2ALMNAPOLBALOX15
SCHEMBL9010787 0.81 MEN1 (0.72) MEN1KMT2ALMNAPOLBALOX15
SCHEMBL18094478 0.81 MEN1 (0.58) MEN1KMT2ALMNAPOLBALOX15
SCHEMBL20894915 0.80 CYP1A2 (0.62) MEN1KMT2ALMNARAB9AALDH1A1
SCHEMBL13015261 0.79 MEN1 (0.56) MEN1KMT2ALMNAPOLBALOX15
SCHEMBL9010888 0.79 MEN1 (0.56) MEN1KMT2ALMNAPOLBALOX15
SCHEMBL10053368 0.78 MEN1 (0.55) MEN1KMT2ALMNAPOLBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200102264-A1 MARMELIN ANALOGS AND METHODS OF USE IN CANCER TREATMENT THE UNIVERSITY OF KANSAS (US) 2020-04-02 US disclosed
US-10246469-B2 Biaryl kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-02 US disclosed
US-20190040080-A1 BIARYL KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-02-07 US disclosed
US-20170144965-A1 MARMELIN ANALOGS AND METHODS OF USE IN CANCER TREATMENT THE UNIVERSITY OF KANSAS 2017-05-25 US disclosed
US-20170144965-A1 MARMELIN ANALOGS AND METHODS OF USE IN CANCER TREATMENT THE UNIVERSITY OF KANSAS 2017-05-25 US disclosed
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS NATIONAL CEREBRAL AND CARDIOVASCULAR CENTER (JP) 2017-01-19 US disclosed
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS NATIONAL CEREBRAL AND CARDIOVASCULAR CENTER (JP) 2017-01-19 US disclosed
US-9242961-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2016-01-26 US disclosed
EP-1984353-B1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC (US) 2015-12-30 EP disclosed
EP-2418209-B1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC (US) 2014-06-25 EP disclosed
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-09 US disclosed
US-7560551-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2009-07-14 US disclosed
US-20090163501-A1 Aurora kinase modulators and method of use AMGEN INC. (US) 2009-06-25 US disclosed
EP-1984353-A1 AURORA KINASE MODULATORS AND METHOD OF USE Amgen, Inc (US) 2008-10-29 EP disclosed
US-7368452-B2 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2008-05-06 US disclosed
US-20070185111-A1 Aurora kinase modulators and method of use AMGEN INC. 2007-08-09 US disclosed
WO-2007087276-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2007-08-02 WO disclosed
US-20070060510-A1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2007-03-15 US disclosed
US-7176208-B2 Prevent reproduction of hepatitis virus ENANTA PHARMACEUTICALS, INC. (US) 2007-02-13 US disclosed
US-7176208-B2 Prevent reproduction of hepatitis virus ENANTA PHARMACEUTICALS, INC. (US) 2007-02-13 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 (9 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-20190040080-A1 BIARYL KINASE INHIBITORS AAK1, CAMKK1, CAMKK2 MEN1 4864/4885KMT2A 2483/4885LMNA 4425/4885
US-20070185111-A1 Aurora kinase modulators and method of use AURKC, AURKA, CDK1 MEN1 768/4885KMT2A 771/4885LMNA 637/4885
US-20200102264-A1 MARMELIN ANALOGS AND METHODS OF USE IN CANCER TREATMENT COIL, MUC1, MAN2B2 MEN1 4/4885KMT2A 3694/4885LMNA 1358/4885
US-10246469-B2 Biaryl kinase inhibitors AAK1, CAMKK1, CAMKK2 MEN1 4864/4885KMT2A 2483/4885LMNA 4425/4885
US-20070060510-A1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors PRSS1, SPINT2, HPN MEN1 3743/4885KMT2A 2442/4885LMNA 2324/4885
US-20170144965-A1 MARMELIN ANALOGS AND METHODS OF USE IN CANCER TREATMENT COIL, MUC1, MAN2B2 MEN1 4/4885KMT2A 3776/4885LMNA 1367/4885
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF REN, AGTR2, AGTR1 MEN1 2509/4885KMT2A 1948/4885LMNA 3803/4885
US-20090163501-A1 Aurora kinase modulators and method of use AURKC, AURKA, AURKB MEN1 635/4885KMT2A 741/4885LMNA 620/4885
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS AGTR2, MME, AGTR1 MEN1 725/4885KMT2A 2336/4885LMNA 4159/4885

“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.