SCHEMBL1033084

SCHEMBL1033084

Cc1cn(Cc2ccccc2)c(C(=O)NCc2cc(F)ccc2F)c1-c1ccco1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 2/20 0.43
LMNA P02545 2/20 0.40
CHRM4 P08173 1/20 0.40
ADORA3 P0DMS8 3/20 0.39
ADORA2A P29274 3/20 0.39
ADORA2B P29275 3/20 0.39
ADORA1 P30542 3/20 0.39
ALDH1A1 P00352 5/20 0.39
SIGMAR1 Q99720 1/20 0.39
CNR2 P34972 1/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 2/20 0.38
POLB P06746 2/20 0.38
RECQL P46063 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CPB1 P15086 1/20 0.38

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
SCHEMBL1031842 0.86 AKR1B1 (0.42) KLKB1LMNAADORA3ADORA2AADORA2B
SCHEMBL1031076 0.85 KLKB1 (0.40) KLKB1LMNACHRM4ALDH1A1SIGMAR1
SCHEMBL1028261 0.81 TAS1R3 (0.45) KLKB1ADORA3ADORA2AADORA2BADORA1
SCHEMBL1032062 0.79 SMN1; SMN2 (0.46) KLKB1LMNAADORA3ADORA2AADORA1
SCHEMBL1749648 0.77 ALDH1A1 (0.43) KLKB1ADORA3ADORA2AALDH1A1SMN1; SMN2
SCHEMBL2637756 0.77 HSD17B10 (0.48) LMNAADORA1ALDH1A1MAPTSMN1; SMN2
SCHEMBL1033885 0.76 HTT (0.45) ADORA2AADORA1ALDH1A1SIGMAR1SMN1; SMN2
SCHEMBL1031385 0.75 PTPN7 (0.42) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL1030443 0.75 RAB9A (0.46) LMNAADORA3ADORA2AADORA2BADORA1
SCHEMBL1030837 0.75 NPC1 (0.44) LMNAALDH1A1MAPTSMN1; SMN2RAB9A

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 KLKB1 3890/4885LMNA 2854/4885CHRM4 535/4885

“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.