SCHEMBL12119033

SCHEMBL12119033

Cc1ccc2nc(-c3ccccn3)[nH]c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 12/20 1.00
METAP2 P50579 8/20 1.00
METAP1 P53582 6/20 1.00
NPC1 O15118 5/20 0.97
RAB9A P51151 5/20 0.97
PKM P14618 4/20 0.97
LMNA P02545 3/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
HPGD P15428 2/20 0.69
KDM4E B2RXH2 2/20 0.69
MAPT P10636 2/20 0.69
TP53 P04637 1/20 0.69
GAA P10253 1/20 0.69
NPSR1 Q6W5P4 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
RUNX1 Q01196 1/20 0.68
MTOR P42345 1/20 0.67
KMT2A Q03164 1/20 0.66
F2 P00734 1/20 0.61
F10 P00742 1/20 0.61

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
SCHEMBL30692549 0.88 CBFB (0.78) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL124267 0.88 CBFB (0.78) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL13866538 0.84 NPC1 (0.74) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL30692551 0.83 CBFB (1.00) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL125187 0.83 CBFB (1.00) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL13866537 0.82 NPC1 (0.81) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL4371835 0.82 METAP2 (1.00) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL18025638 0.81 CBFB (0.68) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL10351275 0.81 NPC1 (1.00) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL10351278 0.81 NPC1 (0.68) CBFBMETAP2METAP1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4234760-A1 FORMULATION COMPRISING 2-SUBSTITUTED BENZIMIDAZOLE OR 2-SUBSTITUTED IMIDAZOLE CORROSION INHIBITORS Ecolab USA Inc. (US) 2023-08-30 EP disclosed
EP-3303654-B1 2-SUBSTITUTED BENZIMIDAZOLE CORROSION INHIBITORS ECOLAB USA INC (US) 2023-06-07 EP disclosed
US-11306400-B2 2-substituted imidazole and benzimidazole corrosion inhibitors ECOLAB USA INC. (US) 2022-04-19 US disclosed
CN-107787380-B 2-substituted imidazole and benzimidazole corrosion inhibitors 艺康美国股份有限公司 2020-10-30 CN disclosed
US-20190136387-A1 2-Substituted Imidazole and Benzimidazole Corrosion Inhibitors ECOLAB USA INC. (US) 2019-05-09 US disclosed
US-10202694-B2 2-substituted imidazole and benzimidazole corrosion inhibitors ECOLAB USA INC. (US) 2019-02-12 US disclosed
EP-3303654-A1 2-SUBSTITUTED IMIDAZOLE AND BENZIMIDAZOLE CORROSION INHIBITORS Ecolab Usa Inc. (US) 2018-04-11 EP disclosed
US-20160348252-A1 2-Substituted Imidazole and Benzimidazole Corrosion Inhibitors ECOLAB USA INC. (US) 2016-12-01 US disclosed
CN-105481944-A Benzimidazole derivative dipeptide copper complex, and preparation method and applications thereof UNIV SOUTH CHINA AGRICULT 2016-04-13 CN disclosed
US-20110269071-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, CHEMICAL AMPLIFICATION RESIST COMPOSITION, AND RESIST FILM AND PATTERN FORMING METHOD USING THE COMPOSITION FUJIFILM CORPORATION (JP) 2011-11-03 US disclosed
US-7655688-B2 Treating nuclear hormone receptor-associated conditions such as cancer and immune disorders; (3a alpha ,4 alpha ,7 alpha ,7a alpha )-2-(3-Chloro-4-hydroxyphenyl)hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-02 US disclosed
US-7655688-B2 Treating nuclear hormone receptor-associated conditions such as cancer and immune disorders; (3a alpha ,4 alpha ,7 alpha ,7a alpha )-2-(3-Chloro-4-hydroxyphenyl)hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-02 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-20160348252-A1 2-Substituted Imidazole and Benzimidazole Corrosion Inhibitors TMBIM6, AZI2, BAK1 CBFB 781/4885METAP2 1077/4885METAP1 1981/4885
US-20190136387-A1 2-Substituted Imidazole and Benzimidazole Corrosion Inhibitors TMBIM6, AZI2, BAK1 CBFB 781/4885METAP2 1077/4885METAP1 1981/4885
US-10202694-B2 2-substituted imidazole and benzimidazole corrosion inhibitors TMBIM6, AZI2, BAK1 CBFB 781/4885METAP2 1077/4885METAP1 1981/4885
US-11306400-B2 2-substituted imidazole and benzimidazole corrosion inhibitors TMBIM6, AZI2, BAK1 CBFB 781/4885METAP2 1077/4885METAP1 1981/4885

“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.