SCHEMBL1032228

SCHEMBL1032228

Cc1cn(Cc2ccccc2F)c(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1-c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
DPP4 P27487 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
CCR1 P32246 2/20 0.41
CYP3A4 P08684 4/20 0.40
EED O75530 1/20 0.40
LMNA P02545 3/20 0.40
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 2/20 0.40
SLC6A9 P48067 2/20 0.39
ADORA1 P30542 1/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HSP90AA1 P07900 1/20 0.39

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
SCHEMBL1031230 0.82 CNR1 (0.47) KMT2ATP53MAPTCYP3A4LMNA
SCHEMBL1031268 0.80 ALDH1A1 (0.39) KMT2AMAPTLMNAALDH1A1MEN1
SCHEMBL2637921 0.77 MAPT (0.48) KMT2AMAPTALDH1A1MEN1MAPK1
SCHEMBL1028290 0.76 ALDH1A1 (0.48) KMT2ATP53MAPTCCR1LMNA
SCHEMBL1028177 0.73 CNR2 (0.48) KMT2ATP53MAPTLMNAALDH1A1
SCHEMBL1032537 0.73 CNR2 (0.53) KMT2ATP53ALDH1A1MEN1HSP90AA1
SCHEMBL1029094 0.72 CHRNA7 (0.42) KMT2ALMNAALDH1A1MEN1KDM4E
SCHEMBL1031199 0.72 TACR3 (0.47) KMT2AMAPTLMNAALDH1A1MEN1
SCHEMBL15511503 0.72 ALDH1A1 (0.51) KMT2ATP53CYP3A4ALDH1A1MEN1
SCHEMBL1031060 0.71 CYP2C9 (0.43) KMT2ALMNAALDH1A1MEN1KDM4E

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2035375-A1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS Grünenthal GmbH (DE) 2009-03-18 EP claimed
WO-2007141039-A1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS Grünenthal GmbH (DE) 2007-12-13 WO 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
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 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
EP-2035375-A1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS Grünenthal GmbH (DE) 2009-03-18 EP disclosed
WO-2007141039-A1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS Grünenthal GmbH (DE) 2007-12-13 WO 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 KMT2A 1507/4885DPP4 2713/4885TP53 4881/4885

“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.