Sugi Predict

Sugi Predict / Compounds / SCHEMBL2163036

SCHEMBL2163036

SCHEMBL2163036

COc1ccc2[nH]c(N)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 1/20 0.52
▸ MEN1 O00255 6/20 0.51
▸ KMT2A Q03164 6/20 0.51
▸ ALDH1A1 P00352 6/20 0.51
▸ MAPT P10636 2/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ FABP6 P51161 1/20 0.50
▸ KDM4E B2RXH2 3/20 0.48
▸ HSD17B10 Q99714 3/20 0.48
▸ GFER P55789 2/20 0.48
▸ TSHR P16473 2/20 0.48
▸ MASP2 O00187 1/20 0.48
▸ NUDT1 P36639 1/20 0.48
▸ AOC3 Q16853 1/20 0.48
▸ NPC1 O15118 4/20 0.48
▸ HPGD P15428 4/20 0.48
▸ POLB P06746 3/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ TP53 P04637 3/20 0.48

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
Bromide SCHEMBL17747821 0.98 TYMS (0.51) TYMSMEN1KMT2AALDH1A1MAPT
SCHEMBL5683290 0.87 ALDH1A1 (0.48) TYMSMEN1KMT2AALDH1A1MAPT
SCHEMBL216242 0.86 NPC1 (0.63) TYMSMEN1KMT2AALDH1A1CYP1A2
SCHEMBL30174540 0.86 NPC1 (0.63) TYMSMEN1KMT2AALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL25169249 0.84 NPC1 (0.61) TYMSMEN1KMT2AALDH1A1CYP1A2
SCHEMBL5679580 0.83 MAP4K4 (0.49) MEN1KMT2AALDH1A1CYP1A2MASP2
SCHEMBL1170729 0.81 ALDH1A1 (0.57) MEN1KMT2AALDH1A1MAPTCYP1A2
SCHEMBL10833668 0.81 FABP6 (0.46) TYMSMEN1KMT2AALDH1A1MAPT
SCHEMBL3064558 0.81 TYMS (0.56) TYMSMEN1KMT2AALDH1A1MAPT
SCHEMBL1286065 0.80 KDM4E (0.57) MEN1KMT2AALDH1A1MAPTCYP1A2

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 98 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
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
CN-114728971-B 2-Amino-S6-substituted thiopurine compounds as inhibitors of ENPP1 protein 阿托恩波罗斯生命科学私人有限公司 2025-05-13 — — CN disclosed
CN-114423763-B Regioselective synthesis of imidazo [1,2-a ] pyrimidines 豪夫迈·罗氏有限公司 2025-01-21 — — CN disclosed
CN-115710257-B Sulfate crystal form of amide compound, pharmaceutical composition and application 深圳开悦生命科技有限公司 2024-12-06 — — CN disclosed
WO-2024249488-A2 INHIBITORS OF DYRK1A BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2024-12-05 — — WO disclosed
US-4132708-A Metal complexes of azomethines and process for their manufacture CIBA-GEIGY CORPORATION (US) 1979-01-02 — — US disclosed
US-4111947-A DYES, PLASTICS, LACQUERS CIBA-GEIGY CORPORATION (US) 1978-09-05 — — US disclosed
US-4065462-A ORGANIC PIGMENTS CIBA-GEIGY CORPORATION (US) 1977-12-27 — — US disclosed
US-4022770-A COLORING CIBA-GEIGY CORPORATION (US) 1977-05-10 — — 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 TYMS 1893/4885MEN1 2688/4885KMT2A 1545/4885
US-20130136782-A1 Inhibition and Dispersion of Bacterial Biofilms with 2-Aminobenzimidazole Derivatives FLNB, BRI3BP, CCNI TYMS 4216/4885MEN1 3710/4885KMT2A 1202/4885
US-10292390-B2 Inhibition and dispersion of bacterial biofilms with 2-aminobenzimidazole derivatives FLNB, BRI3BP, CCNI TYMS 4216/4885MEN1 3710/4885KMT2A 1202/4885

“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.