SCHEMBL1032267

SCHEMBL1032267

CCC(NC(=O)c1c(-c2ccco2)c(C)cn1C)c1ccncc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.36
PPARG P37231 1/20 0.36
USP2 O75604 1/20 0.36
ADORA3 P0DMS8 3/20 0.36
ADORA2A P29274 3/20 0.36
ADORA2B P29275 3/20 0.36
ADORA1 P30542 3/20 0.36
PDE2A O00408 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ROCK2 O75116 2/20 0.34
ROCK1 Q13464 2/20 0.34

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
SCHEMBL1032268 0.73 USP2 (0.45) USP2L3MBTL1POLBKDM4EALDH1A1
SCHEMBL1031918 0.72 ALDH1A1 (0.47) ADORA3L3MBTL1RAB9ANPC1POLB
SCHEMBL1032220 0.72 RAB9A (0.47) USP2ADORA3ADORA2AADORA2BADORA1
SCHEMBL1031580 0.71 ALDH1A1 (0.55) TDP1ADORA3ADORA2AADORA2BADORA1
SCHEMBL1030274 0.71 POLB (0.46) TDP1USP2L3MBTL1RAB9APOLB
SCHEMBL1031744 0.69 NPC1 (0.49) TDP1USP2RAB9ANPC1POLB
SCHEMBL1032651 0.69 KMT2A (0.47) L3MBTL1RAB9ANPC1POLBKDM4E
SCHEMBL1027475 0.68 NPC1 (0.44) TDP1USP2RAB9ANPC1POLB
SCHEMBL1031516 0.66 LMNA (0.54) USP2L3MBTL1RAB9ANPC1POLB
SCHEMBL1030582 0.66 MEN1 (0.47) PPARGL3MBTL1POLBKDM4ELMNA

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 TDP1 1760/4885PPARG 2867/4885USP2 3368/4885

“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.