SCHEMBL1027475

SCHEMBL1027475

Cc1cn(C)c(C(=O)NC2Cc3ccccc3C2)c1-c1ccco1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 1/20 0.44
MCL1 Q07820 2/20 0.40
BCL2 P10415 1/20 0.40
BCL2L1 Q07817 1/20 0.40
BCL2A1 Q16548 1/20 0.40
CHRM4 P08173 5/20 0.39
TDP1 Q9NUW8 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GRM7 Q14831 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
RECQL P46063 2/20 0.35
BLM P54132 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35

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
SCHEMBL1031744 0.86 NPC1 (0.49) NPC1RAB9ALMNATDP1RECQL
SCHEMBL1027476 0.82 ALDH1A1 (0.47) LMNACHRM4RECQLHSD17B10KDM4E
SCHEMBL1031506 0.82 NPC1 (0.37) NPC1RAB9ALMNAMCL1BCL2
SCHEMBL1032220 0.78 RAB9A (0.47) NPC1RAB9ALMNAMCL1NPSR1
SCHEMBL1030274 0.75 POLB (0.46) RAB9ALMNAMCL1TDP1RECQL
SCHEMBL1031918 0.74 ALDH1A1 (0.47) NPC1RAB9ALMNAMCL1BLM
SCHEMBL1031516 0.72 LMNA (0.54) NPC1RAB9ALMNANPSR1MEN1
SCHEMBL1031580 0.71 ALDH1A1 (0.55) NPC1RAB9ALMNAMCL1TDP1
SCHEMBL1031541 0.70 RAB9A (0.53) NPC1RAB9ALMNANPSR1MEN1
SCHEMBL31530561 0.70 ALDH1A1 (0.65) NPC1RAB9ALMNANPSR1MEN1

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 4091/4885LMNA 2854/4885

“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.