SCHEMBL11249156

SCHEMBL11249156

N#Cc1ccc2[nH]c(N)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MASP2 O00187 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ NUDT1 P36639 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ AOC3 Q16853 1/20 0.48
▸ FABP6 P51161 1/20 0.46
▸ IMPDH2 P12268 1/20 0.44
▸ IMPDH1 P20839 1/20 0.44
▸ PLAU P00749 1/20 0.43
▸ HTR3E A5X5Y0 1/20 0.43
▸ HTR3B O95264 1/20 0.43
▸ HTR3A P46098 1/20 0.43
▸ BACE1 P56817 1/20 0.43
▸ HTR3D Q70Z44 1/20 0.43
▸ HTR3C Q8WXA8 1/20 0.43
▸ XDH P47989 1/20 0.43
▸ PIN1 Q13526 1/20 0.43
▸ PKN1 Q16512 1/20 0.42
▸ PKN2 Q16513 1/20 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
SCHEMBL1793328 0.86 PIN1 (0.58) MASP2MEN1ALDH1A1NUDT1KMT2A
Hydrochloric Acid SCHEMBL14690440 0.84 PIN1 (0.56) MASP2MEN1ALDH1A1NUDT1KMT2A
SCHEMBL30581443 0.83 IMPDH2 (0.42) ALDH1A1IMPDH2IMPDH1XDHPIN1
SCHEMBL4742860 0.82 ALDH1A1 (0.48) MASP2MEN1ALDH1A1NUDT1KMT2A
SCHEMBL4387879 0.80 IMPDH2 (0.46) IMPDH2IMPDH1PIN1PKN1PKN2
SCHEMBL2712161 0.79 PIN1 (0.46) MEN1KMT2AIMPDH2IMPDH1PIN1
SCHEMBL3987184 0.79 IMPDH2 (0.44) IMPDH2IMPDH1PIN1PKN1PKN2
SCHEMBL1794997 0.79 CSNK1D (0.47) ALDH1A1IMPDH2IMPDH1PIN1PKN1
SCHEMBL27306100 0.79 IMPDH2 (0.44) IMPDH2IMPDH1PIN1PKN1PKN2
SCHEMBL1245512 0.79 RHEB (0.49) IMPDH2IMPDH1PIN1PKN1PKN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
WO-2013020622-A1 N-(BENZIMIMDAZOL-2-YL)-CYCLOPROPANE CARBOXAMIDES AS LYSOPHOSPHATIDIC ACID ANTAGONISTS MERCK PATENT GMBH (DE) 2013-02-14 — — WO claimed
CN-114989096-B Thioazole compound and preparation method and application thereof 赣南师范大学 2023-10-24 — — CN disclosed
CN-114989096-A Thioazole compound and preparation method and application thereof 赣南师范大学 2022-09-02 — — CN disclosed
US-20210128561-A1 MRGX Receptor Antagonists KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2021-05-06 — — US disclosed
US-20210128561-A1 MRGX Receptor Antagonists KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2021-05-06 — — 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-10292390-B2 Inhibition and dispersion of bacterial biofilms with 2-aminobenzimidazole derivatives WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2019-05-21 — — US disclosed
US-4316021-A VIRICIDES ELI LILLY AND COMPANY (US) 1982-02-16 — — US disclosed
US-4243813-A VIRICIDES ELI LILLY AND COMPANY (US) 1981-01-06 — — US disclosed
US-4196125-A VIRICIDES ELI LILLY AND COMPANY (US) 1980-04-01 — — US disclosed
US-4167569-A ANTICOAGULANTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-09-11 — — US disclosed
US-4118573-A ANTIVIRAL AGENTS ELI LILLY AND COMPANY (US) 1978-10-03 — — US disclosed
US-4065462-A ORGANIC PIGMENTS CIBA-GEIGY CORPORATION (US) 1977-12-27 — — US disclosed
US-4018790-A VIRICIDES ELI LILLY AND COMPANY (US) 1977-04-19 — — 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 (3 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 MASP2 1924/4885MEN1 2688/4885ALDH1A1 1766/4885
US-10292390-B2 Inhibition and dispersion of bacterial biofilms with 2-aminobenzimidazole derivatives FLNB, BRI3BP, CCNI MASP2 698/4885MEN1 3710/4885ALDH1A1 1841/4885
US-20210128561-A1 MRGX Receptor Antagonists MRGPRX2, MRGPRX1, MRGPRX4 MASP2 952/4885MEN1 843/4885ALDH1A1 4144/4885

“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.

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