SCHEMBL1028034

SCHEMBL1028034

Cc1cn(Cc2ccc(C(F)(F)F)cc2)c(C(=O)N2CCN(c3ccccn3)CC2)c1-c1ccco1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
KDM4E B2RXH2 8/20 0.49
HSD17B10 Q99714 4/20 0.49
LMNA P02545 3/20 0.49
MAPK1 P28482 3/20 0.49
USP2 O75604 2/20 0.49
GAA P10253 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TRPV1 Q8NER1 1/20 0.46
RAB9A P51151 1/20 0.45
TSHR P16473 3/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
BACE1 P56817 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42

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
SCHEMBL1030813 0.86 TSHR (0.46) ALDH1A1LMNAUSP2GAANPSR1
SCHEMBL1031499 0.83 SMN1; SMN2 (0.41) ALDH1A1KDM4ELMNAUSP2TSHR
SCHEMBL1028757 0.83 KLK7 (0.41) ALDH1A1KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL1030973 0.79 MEN1 (0.47) ALDH1A1KDM4EHSD17B10LMNAMAPK1
SCHEMBL1032310 0.78 ADORA2A (0.42) ALDH1A1KDM4EHSD17B10LMNATSHR
SCHEMBL1032278 0.77 MAPT (0.52) ALDH1A1KDM4EHSD17B10LMNAMAPK1
SCHEMBL1749331 0.77 MEN1 (0.46) ALDH1A1KDM4EHSD17B10LMNAUSP2
SCHEMBL1027735 0.73 ALDH1A1 (0.53) ALDH1A1HSD17B10LMNARAB9ATSHR
SCHEMBL1030195 0.73 KMT2A (0.44) ALDH1A1KDM4ELMNANPSR1RAB9A
SCHEMBL1030974 0.73 ALDH1A1 (0.43) ALDH1A1KDM4ELMNAMAPK1RAB9A

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 ALDH1A1 2168/4885KDM4E 829/4885HSD17B10 3763/4885

“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.