SCHEMBL1031986

SCHEMBL1031986

Cc1cn(Cc2ccc(F)cc2)c(C(=O)N(CCO)Cc2ccccc2)c1-c1ccco1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
LMNA P02545 5/20 0.44
GAA P10253 4/20 0.44
NPSR1 Q6W5P4 3/20 0.44
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 4/20 0.40
RECQL P46063 3/20 0.40
HPGD P15428 2/20 0.40
CPB1 P15086 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 6/20 0.38
TP53 P04637 2/20 0.38
PKM P14618 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
BLM P54132 1/20 0.37

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
SCHEMBL1031303 0.87 GAA (0.42) ALDH1A1LMNAGAANPSR1RAB9A
SCHEMBL1749648 0.81 ALDH1A1 (0.43) ALDH1A1RAB9APOLBRECQLHPGD
SCHEMBL2637756 0.77 HSD17B10 (0.48) ALDH1A1LMNAGAANPSR1RAB9A
SCHEMBL1033885 0.76 HTT (0.45) ALDH1A1POLBRECQLHSD17B10MEN1
SCHEMBL4122565 0.75 ALDH1A1 (0.41) ALDH1A1RAB9APOLBRECQLHPGD
SCHEMBL1032062 0.72 SMN1; SMN2 (0.46) ALDH1A1LMNAGAAPOLBRECQL
SCHEMBL1033084 0.71 KLKB1 (0.43) ALDH1A1LMNARAB9ANPC1POLB
SCHEMBL1032310 0.71 ADORA2A (0.42) ALDH1A1LMNAPOLBRECQLTSHR
SCHEMBL1027398 0.71 CNR2 (0.54) ALDH1A1KDM4E
SCHEMBL1031730 0.70 CNR1 (0.45) ALDH1A1LMNANPSR1RAB9ANPC1

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 ALDH1A1 2168/4885LMNA 2854/4885GAA 4161/4885

“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.