SCHEMBL1179404

SCHEMBL1179404

Cc1cc(C(=O)O)nc(N(C)C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.43
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 2/20 0.43
GPR35 Q9HC97 2/20 0.42
ALOX15 P16050 2/20 0.42
TSHR P16473 2/20 0.42
HIF1A Q16665 1/20 0.42
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 2/20 0.41
RBP4 P02753 3/20 0.41
GBA1 P04062 1/20 0.38
DAO P14920 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
LMNA P02545 2/20 0.37
CYP1A2 P05177 1/20 0.37
THRB P10828 1/20 0.37
BLM P54132 1/20 0.37
CREBBP Q92793 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL1178978 0.82 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2MAPK1GPR35ALOX15
SCHEMBL1179543 0.82 HCRTR1 (0.41) ALDH1A1SMN1; SMN2MAPK1GPR35RBP4
SCHEMBL29740323 0.81 CTSA (0.46) HPGDALDH1A1SMN1; SMN2GPR35ALOX15
SCHEMBL3404588 0.81 CTSA (0.46) HPGDALDH1A1SMN1; SMN2GPR35ALOX15
SCHEMBL1180064 0.80 KDM4E (0.48) ALDH1A1SMN1; SMN2MAPK1GPR35ALOX15
SCHEMBL1180561 0.80 HCRTR1 (0.43)
SCHEMBL1178240 0.79 ESR1 (0.38) ALDH1A1SMN1; SMN2MAPK1GPR35ALOX15
SCHEMBL13769258 0.78 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MAPK1GPR35ALOX15
SCHEMBL3350783 0.78 HCAR3 (0.42) HPGDALDH1A1SMN1; SMN2MAPK1GPR35
SCHEMBL1424667 0.77 KDM4E (0.53) HPGDALDH1A1SMN1; SMN2MAPK1GPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP claimed
US-9428456-B2 1-[m-carboxamido(hetero)aryl-methyl]-heterocyclyl-carboxamide derivatives ACTELION PHARMACEUTICALS LTD (CH) 2016-08-30 US claimed
EP-2864315-A2 1-[M-CARBOXAMIDO(HETERO)ARYL-METHYL]-HETEROCYCLYL-CARBOXAMIDE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2015-04-29 EP claimed
WO-2013190508-A2 1-[M-CARBOXAMIDO(HETERO)ARYL-METHYL]-HETEROCYCLYL-CARBOXAMIDE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-12-27 WO claimed
US-20130345199-A1 1-[M-CARBOXAMIDO(HETERO)ARYL-METHYL]-PIPERIDINE-4-CARBOXAMIDE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2013-12-26 US claimed
EP-2200440-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS Crestone, Inc. (US) 2010-06-30 EP claimed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 WO claimed
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP disclosed
US-9428456-B2 1-[m-carboxamido(hetero)aryl-methyl]-heterocyclyl-carboxamide derivatives ACTELION PHARMACEUTICALS LTD (CH) 2016-08-30 US disclosed
US-20150336893-A1 1-[m-Carboxamido(hetero)aryl-methyl]-heterocyclyl-carboxamide Derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2015-11-26 US disclosed
EP-2864315-A2 1-[M-CARBOXAMIDO(HETERO)ARYL-METHYL]-HETEROCYCLYL-CARBOXAMIDE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2015-04-29 EP disclosed
EP-2217594-B1 NOVEL PYRIMIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2014-01-08 EP disclosed
WO-2013190508-A2 1-[M-CARBOXAMIDO(HETERO)ARYL-METHYL]-HETEROCYCLYL-CARBOXAMIDE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-12-27 WO disclosed
CN-101970430-A Novel pyrimidine derivatives ACTELION PHARMACEUTICALS LTD 2011-02-09 CN disclosed
CN-101965346-A Novel pyrimidine-pyridine derivatives ACTELION PHARMACEUTICALS LTD 2011-02-02 CN disclosed
EP-2262800-A1 NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-12-22 EP disclosed
US-20100234346-A1 NOVEL PYRIMIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-09-16 US disclosed
EP-2217594-A2 NOVEL PYRIMIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-08-18 EP disclosed
WO-2009109907-A1 NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-09-11 WO disclosed
WO-2009057079-A2 NOVEL PYRIMIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-05-07 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 (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-20100234346-A1 NOVEL PYRIMIDINE DERIVATIVES TYMP, TYMS, DPYD HPGD 614/4885ALDH1A1 680/4885SMN1; SMN2 4171/4885
US-20150336893-A1 1-[m-Carboxamido(hetero)aryl-methyl]-heterocyclyl-carboxamide Derivatives CXCR1, CXCR5, CXCR4 HPGD 2140/4885ALDH1A1 1196/4885SMN1; SMN2 3582/4885
US-20130345199-A1 1-[M-CARBOXAMIDO(HETERO)ARYL-METHYL]-PIPERIDINE-4-CARBOXAMIDE DERIVATIVES CXCR1, CXCR5, CXCR4 HPGD 2605/4885ALDH1A1 1235/4885SMN1; SMN2 3407/4885

“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.