SCHEMBL2494785

SCHEMBL2494785

c1ccc2[nH]c(-c3cccc4c3[nH]c3ccccc34)nc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.61
RAB9A P51151 9/20 0.61
ALDH1A1 P00352 8/20 0.61
HPGD P15428 7/20 0.61
SMN1; SMN2 Q16637 6/20 0.61
NPSR1 Q6W5P4 5/20 0.61
HTT P42858 2/20 0.61
KDM4E B2RXH2 8/20 0.57
HSD17B10 Q99714 5/20 0.57
MAPT P10636 3/20 0.57
PKM P14618 2/20 0.57
GAA P10253 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
GPR55 Q9Y2T6 1/20 0.57
GLA P06280 1/20 0.57
MAPK1 P28482 1/20 0.56
ABCB11 O95342 1/20 0.56
TP53 P04637 1/20 0.56
F7 P08709 1/20 0.54
LMNA P02545 3/20 0.53

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
SCHEMBL28116783 0.86 NPC1 (0.72) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL784353 0.81 NPC1 (0.66) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL29825055 0.81 NPC1 (0.66) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL31677102 0.81 NPC1 (0.66) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL227743 0.80 NPC1 (0.78) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
Benzene SCHEMBL29179821 0.80 RAB9A (0.64) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL3541718 0.79 FGFR1 (0.68) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL29093710 0.79 PDE5A (0.61) FGFR1FLT1BCHE
SCHEMBL29733506 0.78 KIF11 (0.63) ALDH1A1HSD17B10BCHE
SCHEMBL208113 0.78 KIF11 (0.63) ALDH1A1HSD17B10BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8974923-B2 Organic compound and organic light-emitting device having the same CANON KABUSHIKI KAISHA (JP) 2015-03-10 US claimed
US-20130001537-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE HAVING THE SAME CANON KABUSHIKI KAISHA (JP) 2013-01-03 US claimed
WO-2011122381-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE HAVING THE SAME CANON KABUSHIKI KAISHA (JP) 2011-10-06 WO claimed
CN-111171004-B (E) Preparation method of 2- (2- (9-alkyl) carbazole-3-) vinyl-benzimidazole 陕西科技大学 2021-08-24 CN disclosed
US-10730856-B2 Benzimidazole derivatives as EP4 ligands BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-08-04 US disclosed
CN-111171004-A (E) Preparation method of 2- (2- (9-alkyl) carbazole-3-) vinyl-benzimidazole 陕西科技大学 2020-05-19 CN disclosed
US-9708311-B2 Benzimidazole derivatives as EP4 antagonists BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-07-18 US disclosed
US-20160318905-A1 Novel benzimidazole derivatives as EP4 ligands BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-03 US disclosed
US-20160214977-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AS EP4 ANTAGONISTS BAYER ANIMAL HEALTH GMBH (DE) 2016-07-28 US disclosed
US-8974923-B2 Organic compound and organic light-emitting device having the same CANON KABUSHIKI KAISHA (JP) 2015-03-10 US disclosed
US-8974923-B2 Organic compound and organic light-emitting device having the same CANON KABUSHIKI KAISHA (JP) 2015-03-10 US disclosed
US-20130001537-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE HAVING THE SAME CANON KABUSHIKI KAISHA (JP) 2013-01-03 US disclosed
US-20130001537-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE HAVING THE SAME CANON KABUSHIKI KAISHA (JP) 2013-01-03 US disclosed
JP-2011213650-A NEW ORGANIC COMPOUND AND ORGANIC LUMINESCENT DEVICE HAVING THE SAME CANON INC 2011-10-27 JP disclosed
WO-2011122381-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE HAVING THE SAME CANON KABUSHIKI KAISHA (JP) 2011-10-06 WO disclosed
WO-2011122381-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE HAVING THE SAME CANON KABUSHIKI KAISHA (JP) 2011-10-06 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 (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-20130001537-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE HAVING THE SAME ORC3, CRY1, TRPA1 NPC1 1265/4885RAB9A 2792/4885ALDH1A1 273/4885
US-20160214977-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AS EP4 ANTAGONISTS PTGER4, PTGER1, PTGER2 NPC1 1969/4885RAB9A 4037/4885ALDH1A1 560/4885
US-20160318905-A1 Novel benzimidazole derivatives as EP4 ligands PTGER4, PTGER1, EPB41 NPC1 1558/4885RAB9A 4004/4885ALDH1A1 511/4885
US-10730856-B2 Benzimidazole derivatives as EP4 ligands PTGER4, PTGER1, PTGER2 NPC1 1816/4885RAB9A 4328/4885ALDH1A1 382/4885

“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.