SCHEMBL5250994

SCHEMBL5250994

[CH2]c1cc(N)cc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
HSD17B10 Q99714 6/20 0.44
CYP3A4 P08684 4/20 0.44
HIF1A Q16665 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALOX15 P16050 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
HBB P68871 1/20 0.43
CYP1B1 Q16678 1/20 0.41
PLAU P00749 2/20 0.41
HTR2A P28223 1/20 0.40
TSHR P16473 2/20 0.39
HPGD P15428 2/20 0.39
KEAP1 Q14145 1/20 0.39
HPRT1 P00492 1/20 0.38
MITF O75030 1/20 0.37
TRPM4 Q8TD43 1/20 0.37
CYP2A6 P11509 2/20 0.36
CYP1A2 P05177 3/20 0.35

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
SCHEMBL29487594 0.76 ALDH1A1 (0.54) ALDH1A1HSD17B10CYP3A4HIF1ATDP1
SCHEMBL2153752 0.76 ALDH1A1 (0.54) ALDH1A1HSD17B10CYP3A4HIF1ATDP1
SCHEMBL7218852 0.76 ALDH1A1 (0.48) ALDH1A1HSD17B10CYP3A4HIF1ATDP1
SCHEMBL6834828 0.76 ALDH1A1 (0.44) ALDH1A1HSD17B10CYP3A4HIF1ATDP1
SCHEMBL5249788 0.74 CYP1A2 (0.46) ALDH1A1HSD17B10CYP3A4HIF1ATDP1
SCHEMBL1973685 0.73 ALDH1A1 (0.52) ALDH1A1HSD17B10CYP3A4HIF1ATDP1
SCHEMBL1706700 0.73 CYP1A2 (0.61) ALDH1A1HSD17B10HIF1ATDP1CYP1B1
SCHEMBL688181 0.73 NQO2 (0.61) ALDH1A1HSD17B10CYP3A4HIF1ATDP1
SCHEMBL5250995 0.73 CYP1A2 (0.61) ALDH1A1HSD17B10CYP3A4HIF1ATDP1
SCHEMBL7307982 0.73 ALDH1A1 (0.44) ALDH1A1HSD17B10CYP3A4HIF1ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1361225-B1 COMPOUNDS SUBSTITUTED WITH BICYCLIC AMINO GROUPS SANKYO CO (JP) 2007-11-07 EP disclosed
CN-1294129-C Heteraryl-substituted porrole derivatives, their prep. and therapeutic use SANKYO CO (JP) 2007-01-10 CN disclosed
US-7122666-B2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-10-17 US disclosed
US-7091352-B2 Compounds substituted with bicyclic amino groups SANKYO COMPANY, LIMITED (JP) 2006-08-15 US disclosed
US-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-06-15 US disclosed
EP-1377577-B1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES SANKYO CO (JP) 2006-06-14 EP disclosed
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2005-12-22 US disclosed
CN-1525968-A composition for preventing or treating liver disease 三共株式会社 2004-09-01 CN disclosed
US-20040147525-A1 Compounds substituted with bicyclic amino groups SANKYO COMPANY, LIMITED (JP) 2004-07-29 US disclosed
EP-1070711-B1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO CO (JP) 2004-04-14 EP disclosed
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2004-03-18 US disclosed
EP-1377577-A1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES Sankyo Company Limited (JP) 2004-01-07 EP disclosed
EP-1361225-A1 COMPOUNDS SUBSTITUTED WITH BICYCLIC AMINO GROUPS Sankyo Company, Limited (JP) 2003-11-12 EP disclosed
EP-1352906-A1 COMPOSITIONS FOR PREVENTION OR TREATMENT OF HEPATOPATHY Sankyo Company, Limited (JP) 2003-10-15 EP disclosed
EP-1243589-A1 Heteroaryl-substituted pyrrole derivates, their preparation and their therapeutic uses Sankyo Company Limited (JP) 2002-09-25 EP disclosed
WO-2002057264-A1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES SANKYO COMPANY LIMITED (JP) 2002-07-25 WO disclosed
EP-1070711-A2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses Sankyo Company Limited (JP) 2001-01-24 EP 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 (4 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-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1A, IL1B ALDH1A1 871/4885HSD17B10 1589/4885CYP3A4 2846/4885
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, CNKSR1, IL1A ALDH1A1 928/4885HSD17B10 1891/4885CYP3A4 2260/4885
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1B, IL1A ALDH1A1 1023/4885HSD17B10 781/4885CYP3A4 1480/4885
US-20040147525-A1 Compounds substituted with bicyclic amino groups IL2, IL1B, IL4I1 ALDH1A1 507/4885HSD17B10 1882/4885CYP3A4 83/4885

“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.