SCHEMBL3844906

SCHEMBL3844906

COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(C(=O)NCCNC(=O)OC(C)(C)C)cc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
CFTR P13569 1/20 0.38
PTPN1 P18031 1/20 0.38
BACE1 P56817 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
HDAC1 Q13547 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
THRB P10828 1/20 0.37
BLM P54132 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
DGAT1 O75907 1/20 0.37
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL479895 0.90 PDCD1 (0.42) DDB1CRBNHDAC1CD274MAPT
SCHEMBL2574498 0.89 HDAC1 (0.45) KMT2AHDAC1TDP1MAPTKDM4E
SCHEMBL6629437 0.89 DGAT1 (0.38) KMT2ACFTRDDB1CRBNHDAC1
SCHEMBL3849152 0.88 NAMPT (0.47) KMT2ACTDSP1PTPN1BACE1HDAC1
SCHEMBL479835 0.87 PDCD1 (0.38) HDAC1CD274MAPTKDM4ENPSR1
SCHEMBL19133992 0.87 CASR (0.37) KMT2ACTDSP1BACE1DDB1CRBN
SCHEMBL3849509 0.87 KMT2A (0.42) KMT2ACTDSP1PTPN1BACE1TP53
SCHEMBL479568 0.87 KMT2A (0.43) KMT2ACTDSP1PTPN1BACE1TP53
SCHEMBL479570 0.87 KMT2A (0.43) KMT2ACTDSP1PTPN1BACE1TP53
SCHEMBL479424 0.87 NAMPT (0.37) KMT2AHDAC1KDM4EMEN1NAMPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1830842-B1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2009-04-22 EP disclosed
US-20090048267-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 US disclosed
EP-1830842-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES Boehringer Ingelheim International GmbH (DE) 2007-09-12 EP disclosed
US-20060154939-A1 Medicaments for the Treatment or Prevention of Fibrotic Diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-07-13 US disclosed
WO-2006067168-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-06-29 WO disclosed
US-6858641-B2 Substituted indolinones BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-02-22 US disclosed
US-20030092756-A1 Substituted indolinones BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-05-15 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 (3 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-20030092756-A1 Substituted indolinones CDK1, CDK2, CDKL1 KMT2A 2176/4885CTDSP1 531/4885CFTR 3992/4885
US-20060154939-A1 Medicaments for the Treatment or Prevention of Fibrotic Diseases MMP1, COL1A1, FOXM1 KMT2A 4592/4885CTDSP1 3824/4885CFTR 17/4885
US-20090048267-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES COL1A1, MMP1, FOXM1 KMT2A 4673/4885CTDSP1 3758/4885CFTR 20/4885

“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.