SCHEMBL229828

SCHEMBL229828

c1ccc(Cn2c(-c3ccccc3)nc3ccccc32)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 1.00
PDE6D O43924 3/20 1.00
ALDH2 P05091 1/20 1.00
ALDH3A1 P30838 1/20 1.00
TP53 P04637 5/20 0.82
MAPT P10636 3/20 0.76
SMN1; SMN2 Q16637 4/20 0.74
HTT P42858 3/20 0.74
HPGD P15428 1/20 0.74
NPSR1 Q6W5P4 1/20 0.74
TNF P01375 1/20 0.68
KDM4E B2RXH2 5/20 0.67
LMNA P02545 4/20 0.67
CNR2 P34972 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
GAA P10253 1/20 0.66
RECQL P46063 1/20 0.65
RAB9A P51151 1/20 0.65
BRD4 O60885 1/20 0.64
CFTR P13569 1/20 0.63

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
SCHEMBL29412068 0.91 ALDH1A1 (0.82) ALDH1A1PDE6DALDH2ALDH3A1TP53
SCHEMBL5010971 0.91 ALDH1A1 (1.00) ALDH1A1PDE6DALDH2ALDH3A1TP53
SCHEMBL29411970 0.91 TP53 (0.89) ALDH1A1PDE6DALDH2ALDH3A1TP53
SCHEMBL15474496 0.89 ALDH1A1 (0.80) ALDH1A1PDE6DALDH2ALDH3A1TP53
SCHEMBL9006294 0.89 ALDH1A1 (0.80) ALDH1A1PDE6DALDH2ALDH3A1TP53
SCHEMBL15568856 0.89 ALDH1A1 (0.80) ALDH1A1PDE6DALDH2ALDH3A1TP53
Benzaldehyde SCHEMBL28311657 0.89 ALDH1A1 (0.78) ALDH1A1PDE6DALDH2ALDH3A1TP53
SCHEMBL15568179 0.88 ALDH1A1 (0.78) ALDH1A1PDE6DALDH2ALDH3A1TP53
SCHEMBL15569395 0.88 ALDH1A1 (0.78) ALDH1A1PDE6DALDH2ALDH3A1TP53
SCHEMBL29412044 0.88 TP53 (1.00) ALDH1A1PDE6DALDH2ALDH3A1TP53

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 100 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014027053-A1 BENZIMIDAZOLES FOR THE TREATMENT OF CANCER MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2014-02-20 WO claimed
EP-2698367-A1 Benzimidazoles for the treatment of cancer Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2014-02-19 EP claimed
US-4542394-A MULTILAYER-DIAZONIUM LAYER AND COUPLER LAYER CONTAINING BENZIMIDAZOLE COMPOUND RICOH COMPANY, LTD. (JP) 1985-09-17 US claimed
US-12534666-B2 Blue phosphorescent material, production method thereof, and photophysical properties thereof KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION, SEJONG CAMPUS (KR) 2026-01-27 US disclosed
US-20220333007-A1 Blue Phosphorescent Material, Production Method Thereof, and Photophysical Properties Thereof KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION, SEJONG CAMPUS (KR) 2022-10-20 US disclosed
CN-111978301-B Benzimidazole compound with endothelial lipase inhibition effect and application thereof 盐城师范学院 2022-08-02 CN disclosed
WO-2022057930-A1 BENZIMIDAZOLE COMPOUND HAVING ENDOTHELIAL LIPASE INHIBITION EFFECT, AND APPLICATION 盐城师范学院 2022-03-24 WO disclosed
CN-108997221-B Method for synthesizing 1, 2-disubstituted benzimidazole compound by using 3-hydroxy-2-naphthoic acid and dichlorotitanocene 陕西师范大学 2021-10-01 CN disclosed
WO-2021096268-A2 BLUE PHOSPHORESCENT MATERIAL, PRODUCTION METHOD THEREOF, AND PHOTOPHYSICAL PROPERTIES THEREOF 고려대학교 산학협력단 2021-05-20 WO disclosed
CN-107311933-B Benzimidazole derivative, preparation method and application thereof 中国人民解放军军事医学科学院毒物药物研究所 2020-12-22 CN disclosed
US-20200390074-A1 Non-Mammalian RAS Transgenic Animal Model TOSK, INC. 2020-12-17 US disclosed
CN-1113236-A Non-peptidyl tachykinin receptor antagonists LILLY CO ELI (US) 1995-12-13 CN disclosed
US-5473079-A Process for preparing 2-arylbenzimidazole-5-sulfonic acids MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-12-05 US disclosed
EP-0579827-A1 METHOD OF PREPARING 2-ARYLBENZIMIDAZOLE 5-SULPHONIC ACIDS MERCK PATENT GmbH (DE) 1994-01-26 EP disclosed
WO-1993015061-A2 METHOD OF PREPARING 2-ARYLBENZIMIDAZOLE 5-SULPHONIC ACIDS MERCK PATENT GMBH (DE) 1993-08-05 WO disclosed
CN-1006386-B PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER SHINETSU CHEM IND CO (JP) 1990-01-10 CN disclosed
EP-0172427-B1 PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER Shin-Etsu Chemical Co., Ltd. (JP) 1989-07-05 EP disclosed
US-4758639-A Process for production of vinyl polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-19 US disclosed
US-4757124-A Suspension or emulsion polymerizing vinyl chloride monomer or mixture of vinyl chloride with vinyl monomer copolymerizable therewith in reactor with walls coated with antiscaling compound containing dye or pigments SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-12 US disclosed
CN-85107531-A Process for producing vinyl chloride polymer 1987-01-21 CN 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 (2 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-12534666-B2 Blue phosphorescent material, production method thereof, and photophysical properties thereof OCIAD1, OCIAD2, OPRD1 ALDH1A1 1095/4885PDE6D 366/4885ALDH2 1104/4885
US-20220333007-A1 Blue Phosphorescent Material, Production Method Thereof, and Photophysical Properties Thereof IK, PAICS, PPIP5K2 ALDH1A1 3759/4885PDE6D 1173/4885ALDH2 3329/4885

“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.