SCHEMBL1031744

SCHEMBL1031744

Cc1cn(C)c(C(=O)NC2CCCC2)c1-c1ccco1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
MAPK1 P28482 2/20 0.48
HSD17B10 Q99714 2/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
POLB P06746 1/20 0.48
ALOX15 P16050 1/20 0.48
CASP1 P29466 1/20 0.48
PTPN7 P35236 1/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
CASP7 P55210 1/20 0.48
CACNA1B Q00975 1/20 0.48
APBA1 Q02410 1/20 0.48
KMT2A Q03164 1/20 0.48
ESR2 Q92731 1/20 0.48
TDP1 Q9NUW8 3/20 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
SCHEMBL1027475 0.86 NPC1 (0.44) NPC1RAB9AMAPK1HSD17B10MEN1
SCHEMBL1031252 0.81 TDP1 (0.44) NPC1RAB9AALDH1A1HPGDMAPK1
SCHEMBL1027476 0.80 ALDH1A1 (0.47) ALDH1A1HSD17B10RECQLLMNAKDM4E
SCHEMBL1027398 0.79 CNR2 (0.54) ALDH1A1KDM4ECNR2
SCHEMBL1032220 0.77 RAB9A (0.47) NPC1RAB9AALDH1A1HPGDMAPK1
SCHEMBL1030274 0.77 POLB (0.46) RAB9AALDH1A1HPGDMAPK1HSD17B10
SCHEMBL1031918 0.76 ALDH1A1 (0.47) NPC1RAB9AALDH1A1HPGDHSD17B10
SCHEMBL1032266 0.75 KDM4E (0.55) RAB9AALDH1A1HPGDMAPK1MEN1
SCHEMBL1031516 0.71 LMNA (0.54) NPC1RAB9AALDH1A1HPGDMAPK1
SCHEMBL1031458 0.70 LIPG (0.45) NPC1RAB9AALDH1A1HPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968591-B2 1,3-disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their use in medicaments GRUENENTHAL GMBH (DE) 2011-06-28 US claimed
EP-2035375-B1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS GRUENENTHAL GMBH (DE) 2011-01-19 EP claimed
US-20090137573-A1 1,3-Disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their Use in Medicaments GRUENENTHAL GMBH (DE) 2009-05-28 US claimed
US-7968591-B2 1,3-disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their use in medicaments GRUENENTHAL GMBH (DE) 2011-06-28 US disclosed
US-20090137573-A1 1,3-Disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their Use in Medicaments GRUENENTHAL GMBH (DE) 2009-05-28 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 (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-20090137573-A1 1,3-Disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their Use in Medicaments OPRL1, TPH1, OPRK1 NPC1 3094/4885RAB9A 4091/4885ALDH1A1 2168/4885

“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.