SCHEMBL1031786

SCHEMBL1031786

COc1ccc(CNC(=O)c2c(-c3ccc(Cl)cc3)c(C)cn2Cc2ccccc2F)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.47
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
ALDH1A1 P00352 4/20 0.44
PKM P14618 2/20 0.44
GAA P10253 2/20 0.44
HPGD P15428 2/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 1/20 0.43
PDE10A Q9Y233 1/20 0.43
TP53 P04637 4/20 0.41
LMNA P02545 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ANO1 Q5XXA6 1/20 0.41
ANO2 Q9NQ90 1/20 0.41
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
KLKB1 P03952 1/20 0.40

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
SCHEMBL1032279 0.87 PPARG (0.42) PPARGTAS1R3TAS1R1ALDH1A1PKM
SCHEMBL1027589 0.82 MAPT (0.41) ALDH1A1GAAHPGDMAPTTP53
SCHEMBL1032473 0.77 RAB9A (0.48) ALDH1A1PKMHPGDMAPTLMNA
SCHEMBL1032113 0.77 ALDH1A1 (0.51) TAS1R3TAS1R1ALDH1A1PKMGAA
SCHEMBL2637921 0.76 MAPT (0.48) PPARGALDH1A1HPGDMAPTMAPK1
SCHEMBL1028261 0.75 TAS1R3 (0.45) PPARGTAS1R3TAS1R1ALDH1A1PKM
SCHEMBL1028545 0.74 ROCK2 (0.48) ALDH1A1HPGDMAPTPDE10ATP53
SCHEMBL1029107 0.71 KDM4E (0.49) ALDH1A1HTTTP53LMNAMAPK1
SCHEMBL1048091 0.71 ALDH1A1 (0.53) ALDH1A1HPGDHTTMAPTTP53
SCHEMBL1031069 0.71 PDE10A (0.43) MAPTPDE10ATP53TSHR

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 PPARG 2867/4885TAS1R3 1688/4885TAS1R1 1214/4885

“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.