SCHEMBL1032230

SCHEMBL1032230

COc1cccc(CNC(=O)c2c(-c3ccco3)c(C)cn2C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.55
ADORA2A P29274 1/20 0.55
ADORA2B P29275 1/20 0.55
ADORA1 P30542 1/20 0.55
MMP13 P45452 2/20 0.50
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 2/20 0.49
POLB P06746 1/20 0.49
RECQL P46063 1/20 0.49
EIF4H Q15056 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
LMNA P02545 2/20 0.47
TP53 P04637 2/20 0.47
HPGD P15428 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
USP2 O75604 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
APEX1 P27695 1/20 0.45

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
SCHEMBL1032676 0.86 ADORA3 (0.49) ADORA3ADORA2AADORA2BADORA1ALDH1A1
SCHEMBL1032179 0.85 ADORA3 (0.49) ADORA3ADORA2AADORA2BADORA1MMP13
SCHEMBL1030582 0.77 MEN1 (0.47) KDM4EPOLBLMNASMN1; SMN2L3MBTL1
SCHEMBL1031580 0.75 ALDH1A1 (0.55) ADORA3ADORA2AADORA2BADORA1ALDH1A1
SCHEMBL1030480 0.74 ALDH1A1 (0.54) ALDH1A1KDM4EPOLBLMNATP53
SCHEMBL1031918 0.74 ALDH1A1 (0.47) ADORA3ALDH1A1KDM4EPOLBLMNA
SCHEMBL1031516 0.73 LMNA (0.54) ALDH1A1KDM4EPOLBLMNATP53
SCHEMBL1029323 0.73 MAPK14 (0.57) MMP13
SCHEMBL1032220 0.73 RAB9A (0.47) ADORA3ADORA2AADORA2BADORA1ALDH1A1
SCHEMBL1319516 0.73 MMP13 (0.66) ADORA3ADORA2AADORA2BADORA1MMP13

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 ADORA3 349/4885ADORA2A 218/4885ADORA2B 296/4885

“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.