SCHEMBL1031863

SCHEMBL1031863

COc1ccc(CNC(=O)c2c(-c3ccc(C)cc3)c(C)cn2Cc2ccc(C)cc2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 2/20 0.48
PDE10A Q9Y233 1/20 0.46
LMNA P02545 2/20 0.45
KMT2A Q03164 1/20 0.44
MAPT P10636 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL1028135 0.90 ALDH1A1 (0.53) ALDH1A1LMNAKMT2AMAPTTP53
SCHEMBL1029462 0.84 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1PDE10ALMNAMAPT
SCHEMBL1032186 0.79 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1LMNAKMT2AMAPT
SCHEMBL1048091 0.78 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1LMNAMAPTTP53
SCHEMBL1032036 0.77 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1LMNAKMT2ATP53
SCHEMBL1032474 0.77 NPC1 (0.44) SMN1; SMN2ALDH1A1LMNAKMT2ATP53
SCHEMBL1031509 0.76 WDR5 (0.51) ALDH1A1TP53
SCHEMBL1030435 0.76 S1PR1 (0.43) LMNAMAPTTP53
SCHEMBL2638193 0.76 NPC1 (0.46) ALDH1A1LMNAKMT2ATP53
SCHEMBL1033446 0.74 NPC1 (0.53) SMN1; SMN2ALDH1A1LMNAKMT2AMAPT

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 SMN1; SMN2 2916/4885ALDH1A1 2168/4885PDE10A 1892/4885

“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.