SCHEMBL2532082

SCHEMBL2532082

Cc1nc2ccc(Cl)cc2cc1C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.71
MEN1 O00255 3/20 0.71
ALDH1A1 P00352 5/20 0.57
FABP3 P05413 1/20 0.50
FABP4 P15090 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
DHODH Q02127 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CYP2C9 P11712 2/20 0.48
HSD17B10 Q99714 2/20 0.48
PTGES O14684 1/20 0.48
ALOX5 P09917 1/20 0.48
HPGD P15428 1/20 0.48
CASP7 P55210 1/20 0.48
HIF1A Q16665 1/20 0.48
KDM4E B2RXH2 3/20 0.47
CYP1A2 P05177 1/20 0.46
GPR35 Q9HC97 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL1284870 0.87 ALDH1A1 (0.71) KMT2AMEN1ALDH1A1FABP3FABP4
SCHEMBL28234137 0.83 MEN1 (0.49) KMT2AMEN1ALDH1A1RXFP1DHODH
SCHEMBL30682029 0.83 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1RXFP1DHODH
SCHEMBL2310035 0.83 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1RXFP1DHODH
SCHEMBL6824035 0.80 TSHR (0.71) KMT2AMEN1ALDH1A1RXFP1HSD17B10
SCHEMBL790264 0.80 PRNP (0.53) KMT2AMEN1ALDH1A1RXFP1DHODH
SCHEMBL2423281 0.80 MEN1 (0.71) KMT2AMEN1ALDH1A1RXFP1DHODH
SCHEMBL28087640 0.80 RXFP1 (0.53) KMT2AMEN1ALDH1A1RXFP1DHODH
SCHEMBL12386793 0.80 RXFP1 (0.50) KMT2AMEN1ALDH1A1RXFP1DHODH
SCHEMBL790477 0.79 PRNP (0.52) KMT2AMEN1ALDH1A1RXFP1DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101384581-B Benzoyl-piperidine derivatives as 5HT2/D3 modulators HOFFMANN LA ROCHE 2013-09-18 CN claimed
CN-101384581-A Benzoyl-piperidine derivatives as 5HT2/D3 modulators HOFFMANN LA ROCHE (CH) 2009-03-11 CN claimed
CN-101384581-B Benzoyl-piperidine derivatives as 5HT2/D3 modulators HOFFMANN LA ROCHE 2013-09-18 CN disclosed
US-8039490-B2 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HOFFMANN-LA ROCHE INC. (US) 2011-10-18 US disclosed
CN-101384581-A Benzoyl-piperidine derivatives as 5HT2/D3 modulators HOFFMANN LA ROCHE (CH) 2009-03-11 CN disclosed
US-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 US disclosed
EP-0924209-B1 Hypoglycemic imidazoline compounds LILLY CO ELI (US) 2003-05-02 EP disclosed
EP-1266897-A2 Hypoglycemic imidazoline compounds ELI LILLY AND COMPANY (US) 2002-12-18 EP disclosed
CN-1117045-A Substituted bicyclic heteroaroylguanidines, a process for their preparation, their use as a medicament or a diagnostic agent, and a medicament containing them HOECHST AG (DE) 1996-02-21 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-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HTR2A, HTR3A, HTR2C KMT2A 856/4885MEN1 3878/4885ALDH1A1 1315/4885

“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.