SCHEMBL4445494

SCHEMBL4445494

COn1c(C(=O)O)cc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.62
DAO P14920 1/20 0.59
ALDH1A1 P00352 3/20 0.56
TSHR P16473 1/20 0.56
CYP1A2 P05177 1/20 0.52
POLB P06746 1/20 0.52
CCR2 P41597 4/20 0.51
PLA2G10 O15496 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
LDHA P00338 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL4102690 0.86 PLA2G10 (0.49) MCL1DAOALDH1A1TSHRCYP1A2
SCHEMBL7873282 0.85 MTNR1A (0.56) MCL1DAOALDH1A1TSHRSMN1; SMN2
SCHEMBL9987683 0.82 MCL1 (0.45) MCL1DAOALDH1A1TSHRCYP1A2
SCHEMBL30234519 0.82 MCL1 (0.45) MCL1DAOALDH1A1TSHRCYP1A2
SCHEMBL4542678 0.82 MCL1 (0.57) MCL1DAOALDH1A1TSHRCYP1A2
SCHEMBL30310709 0.82 MCL1 (0.57) MCL1DAOALDH1A1TSHRCYP1A2
SCHEMBL5265082 0.82 MCL1 (0.53) MCL1DAOALDH1A1TSHRCYP1A2
SCHEMBL914929 0.81 DAO (0.57) MCL1DAOALDH1A1TSHRCYP1A2
SCHEMBL2458550 0.80 NOD2 (0.62) MCL1ALDH1A1TSHRSMN1; SMN2MTNR1A
SCHEMBL22396277 0.79 DAO (0.54) MCL1DAOALDH1A1TSHRCYP1A2

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
CN-111349039-A Preparation method of indole-2-formic acid derivative 浙江工业大学 2020-06-30 CN disclosed
US-9447105-B2 Triazine compounds and a process for preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-09-20 US disclosed
US-20150353566-A1 TRIAZINE COMPOUNDS AND A PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-12-10 US disclosed
WO-2009133348-A1 AMINOPYRIDINE DERIVATIVES VANTIA LIMITED (GB) 2009-11-05 WO disclosed
EP-1874317-A2 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY Bayer Pharmaceuticals Corporation (US) 2008-01-09 EP disclosed
WO-2006113919-A2 ARYL ALKYL ACID DERIVATIVES FOR AND USE THEREOF BAYER PHARMACEUTICALS CORPORATION (US) 2006-10-26 WO disclosed
EP-1451185-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2004-09-01 EP disclosed
WO-2003044014-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-05-30 WO 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-20150353566-A1 TRIAZINE COMPOUNDS AND A PROCESS FOR PREPARATION THEREOF TPH2, IDO2, INMT MCL1 1727/4885DAO 982/4885ALDH1A1 2885/4885

“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.