SCHEMBL658809

SCHEMBL658809

Nc1nc2ccc(Cl)cc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 1.00
HTR3B O95264 1/20 1.00
HTR3A P46098 1/20 1.00
BACE1 P56817 1/20 1.00
HTR3D Q70Z44 1/20 1.00
HTR3C Q8WXA8 1/20 1.00
ALDH1A1 P00352 5/20 0.61
PLAU P00749 1/20 0.61
TYMS P04818 2/20 0.57
HPGD P15428 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
PSMB8 P28062 1/20 0.56
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
TP53 P04637 3/20 0.54
KDM4E B2RXH2 2/20 0.54
MAPT P10636 2/20 0.54
HSD17B10 Q99714 2/20 0.54
CYP3A4 P08684 1/20 0.54

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
SCHEMBL216615 0.84 HTR3E (0.72) HTR3EHTR3BHTR3ABACE1HTR3D
Bromide SCHEMBL215261 0.82 HTR3E (0.70) HTR3EHTR3BHTR3ABACE1HTR3D
SCHEMBL31495062 0.79 HTR3E (0.66) HTR3EHTR3BHTR3ABACE1HTR3D
SCHEMBL1748354 0.79 ALDH1A1 (0.66) HTR3EHTR3BHTR3ABACE1HTR3D
SCHEMBL725354 0.79 PLAU (0.66) HTR3EHTR3BHTR3ABACE1HTR3D
SCHEMBL11543367 0.79 ABL1 (0.76) HTR3EHTR3BHTR3ABACE1HTR3D
Hydrochloric Acid SCHEMBL6621844 0.78 PLAU (0.63) HTR3EHTR3BHTR3ABACE1HTR3D
SCHEMBL9306275 0.76 ALDH1A1 (0.61) HTR3EHTR3BHTR3ABACE1HTR3D
SCHEMBL6630362 0.76 ALDH1A1 (0.61) HTR3EHTR3BHTR3ABACE1HTR3D
SCHEMBL29770331 0.76 ALDH1A1 (0.61) HTR3EHTR3BHTR3ABACE1HTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10292390-B2 Inhibition and dispersion of bacterial biofilms with 2-aminobenzimidazole derivatives WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2019-05-21 US claimed
CN-105384693-B Compound, its synthetic method and the purposes of the structure of bisazo containing benzoxazole ring 盐城工学院 2018-11-09 CN claimed
EP-2742029-B1 N-(BENZIMIMDAZOL-2-YL)-CYCLOPROPANE CARBOXAMIDES AS LYSOPHOSPHATIDIC ACID ANTAGONISTS MERCK PATENT GMBH (DE) 2016-10-05 EP claimed
CN-105384693-A Compound containing benzoxazole ring bis(azo) structure, synthetic method for compound and use of compound YANCHENG INST TECHNOLOGY 2016-03-09 CN claimed
WO-2016029146-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE UNIVERSITY OF WASHINGTON (US) 2016-02-25 WO claimed
US-8912202-B2 N-(benzimimdazol-2-yl)-cyclopropane carboxamides as lysophosphatidic acid antagonists MERCK PATENT GMBH (DE) 2014-12-16 US claimed
US-20140228378-A1 N-(Benzimimdazol-2-yl)-Cyclopropane Carboxamides as Lysophosphatidic Acid Antagonists MERCK PATENT GMBH (DE) 2014-08-14 US claimed
EP-2742029-A1 N-(BENZIMIMDAZOL-2-YL)-CYCLOPROPANE CARBOXAMIDES AS LYSOPHOSPHATIDIC ACID ANTAGONISTS Merck Patent GmbH (DE) 2014-06-18 EP claimed
US-20130136782-A1 Inhibition and Dispersion of Bacterial Biofilms with 2-Aminobenzimidazole Derivatives WISCONSIN ALUMNI RESEARCH FOUNDATION 2013-05-30 US claimed
WO-2013020622-A1 N-(BENZIMIMDAZOL-2-YL)-CYCLOPROPANE CARBOXAMIDES AS LYSOPHOSPHATIDIC ACID ANTAGONISTS MERCK PATENT GMBH (DE) 2013-02-14 WO claimed
US-4496727-A ORGANIC PIGMENTS; PLASTICS; LACQUERS; INKS; COATINGS; COLOR FASTNESS CIBA-GEIGY CORPORATION (US) 1985-01-29 US claimed
US-4385174-A FOR PIGMENTS CIBA-GEIGY CORPORATION (US) 1983-05-24 US claimed
US-4349671-A Process for the production of metal complexes of isoindoline azines CIBA-GEIGY CORPORATION (US) 1982-09-14 US claimed
WO-2023274251-A1 POLYCYCLIC COMPOUND FOR INHIBITING RNA HELICASE DHX33, AND APPLICATION OF COMPOUND 深圳开悦生命科技有限公司 2023-01-05 WO disclosed
US-10913736-B2 Specific inhibitors of methionyl-tRNA synthetase UNIVERSITY OF WASHINGTON (US) 2021-02-09 US disclosed
US-10292390-B2 Inhibition and dispersion of bacterial biofilms with 2-aminobenzimidazole derivatives WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2019-05-21 US disclosed
US-4011236-A N-(BENZIMIDAZOL-2-YL)ARYLCARBOXAMIDES AS ULTRAVIOLET (UV) LIGHT ABSORBERS MERCK & CO., INC. (US) 1977-03-08 US disclosed
US-4006127-A Cationic diazacyanine dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-02-01 US disclosed
US-4002623-A Anti-inflammatory 1-[3-(dialkylamino)propyl]-2-acylaminobenzimidazoles and 2-acylamino-3-[3-(dialkylamino)-propyl]imidazo[4,5-b]pyridines PFIZER INC. (US) 1977-01-11 US disclosed
US-4000275-A BENZIMIDAZO(2,1-B) QUINAZOLIN-12(6H)ONES ELI LILLY AND COMPANY (US) 1976-12-28 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 (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-20140228378-A1 N-(Benzimimdazol-2-yl)-Cyclopropane Carboxamides as Lysophosphatidic Acid Antagonists LPAR5, LPAR2, LPAR1 HTR3E 3592/4885HTR3B 3467/4885HTR3A 3166/4885
US-20130136782-A1 Inhibition and Dispersion of Bacterial Biofilms with 2-Aminobenzimidazole Derivatives FLNB, BRI3BP, CCNI HTR3E 1093/4885HTR3B 930/4885HTR3A 1370/4885
US-10292390-B2 Inhibition and dispersion of bacterial biofilms with 2-aminobenzimidazole derivatives FLNB, BRI3BP, CCNI HTR3E 1093/4885HTR3B 930/4885HTR3A 1370/4885
US-10913736-B2 Specific inhibitors of methionyl-tRNA synthetase AARS1, MTR, GARS1 HTR3E 2492/4885HTR3B 2528/4885HTR3A 3138/4885

“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.