SCHEMBL3673827

SCHEMBL3673827

NC(=O)c1ccccc1-c1c[nH]c2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.67
ATM Q13315 1/20 0.67
GPR84 Q9NQS5 1/20 0.51
MAPK1 P28482 1/20 0.49
PBRM1 Q86U86 1/20 0.49
BCAT2 O15382 1/20 0.49
NUDT1 P36639 1/20 0.48
PIM1 P11309 2/20 0.47
PRKD3 O94806 1/20 0.47
CCNB2 O95067 1/20 0.47
CCNE2 O96020 1/20 0.47
ABL1 P00519 1/20 0.47
PRKCG P05129 1/20 0.47
PRKCB P05771 1/20 0.47
CDK1 P06493 1/20 0.47
CDK4 P11802 1/20 0.47
CCNB1 P14635 1/20 0.47
PRKCA P17252 1/20 0.47
PRKACA P17612 1/20 0.47
PRKACG P22612 1/20 0.47

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
SCHEMBL28305303 1.00 ALDH1A1 (0.67) ALDH1A1ATMGPR84MAPK1PBRM1
SCHEMBL27313043 0.86 ALDH1A1 (0.58) ALDH1A1ATMGPR84MAPK1PBRM1
SCHEMBL9272191 0.85 MAPT (0.53) ALDH1A1ATMGPR84MAPK1PBRM1
SCHEMBL30234471 0.85 MAPT (0.53) ALDH1A1ATMGPR84MAPK1PBRM1
SCHEMBL11365960 0.83 GPR84 (0.51) ALDH1A1ATMGPR84MAPK1PBRM1
SCHEMBL7382969 0.82 ALDH1A1 (0.56) ALDH1A1ATMGPR84MAPK1NUDT1
SCHEMBL9795027 0.82 NUDT1 (0.61) ALDH1A1ATMMAPK1BCAT2NUDT1
SCHEMBL29822224 0.82 NUDT1 (0.61) ALDH1A1ATMMAPK1BCAT2NUDT1
SCHEMBL30344211 0.82 ALDH1A1 (0.52) ALDH1A1ATMGPR84MAPK1PBRM1
SCHEMBL117198 0.80 ALDH1A1 (1.00) ALDH1A1ATMGPR84MAPK1PBRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317863-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-16 US disclosed
EP-2183217-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2010-05-12 EP disclosed
CN-101541748-A Methods for treating hepatitis C PTC THERAPEUTICS INC (US) 2009-09-23 CN disclosed
WO-2009015067-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-29 WO disclosed
CN-101027051-A Methods for treating hepatitis C PTC THERAPEUTICS INC (US) 2007-08-29 CN disclosed
CN-1099413-C Certain fused pyrrolecarboxanilides, new class of gaba brain receptor ligands NEUROGEN CORP (US) 2003-01-22 CN disclosed
EP-0785789-B1 DIAZEPINO-INDOLES AS PHOSPHODIESTERASE IV INHIBITORS PFIZER (FR) 2002-09-11 EP disclosed
CN-1143953-A Certain fused pyrrolecarboxanilides, new class of gaba brain receptor ligands NEUROGEN CORP (US) 1997-02-26 CN 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 (1 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-20100317863-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof NR3C1, MC2R, NR3C2 ALDH1A1 4038/4885ATM 3429/4885GPR84 183/4885

“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.