Benzimidazole

Benzimidazole

SCHEMBL3536974

Oc1cccc2cc[nH]c12.c1ccc2[nH]cnc2c1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 2/20 0.44
QPCTL Q9NXS2 1/20 0.44
AHR P35869 2/20 0.38
TRPA1 O75762 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ITGB2 P05107 1/20 0.38
ICAM1 P05362 1/20 0.38
ITGAL P20701 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
ADK P55263 1/20 0.38
KEAP1 Q14145 1/20 0.37
PDPK1 O15530 1/20 0.36
AURKA O14965 1/20 0.36
ALDH1A1 P00352 3/20 0.35
RAB9A P51151 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35

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
Benzimidazole SCHEMBL4876376 0.81 QPCT (0.57) QPCTQPCTLCA2CA4PDPK1
Indole SCHEMBL2210993 0.79 TRPA1 (0.63) QPCTQPCTLAHRTRPA1CA1
Benzimidazole SCHEMBL3534083 0.79 QPCT (0.47) QPCTQPCTLAHRPDPK1ALDH1A1
SCHEMBL109665 0.79 AHR (0.56) AHRTRPA1CA1CA2ITGB2
SCHEMBL29617963 0.79 AHR (0.56) AHRTRPA1CA1CA2ITGB2
SCHEMBL29876050 0.77 AHR (0.54) AHRTRPA1CA1CA2ITGB2
Naphthalene SCHEMBL15819597 0.77 KDM4E (0.46) QPCTQPCTLAHRTRPA1CA1
Naphthalene SCHEMBL9738608 0.77 KDM4E (0.46) QPCTQPCTLAHRTRPA1CA1
Naphthalene SCHEMBL29363450 0.77 KDM4E (0.46) QPCTQPCTLAHRTRPA1CA1
Benzimidazole SCHEMBL6009 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642278-B2 Nitrogen compounds such as 3-(5-morpholin-4-yl-1H-benz-imidazol-2-yl)-1H-indazole and/or isomers, used as immunology modulators, antidiabetic agents, antiogenesis inhibitors or for prophylaxis of Alzheimer's disease NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-01-05 US disclosed
US-7064215-B2 Indazole benzimidazole compounds CHIRON CORPORATION (US) 2006-06-20 US disclosed
US-20060079564-A1 Indazole benzimidazole compounds CHIRON CORPORATION 2006-04-13 US disclosed
EP-1401831-A1 INDAZOLE BENZIMIDAZOLE COMPOUNDS AS TYROSINE AND SERINE/THREONINE KINASE INHIBITORS CHIRON CORPORATION (US) 2004-03-31 EP disclosed
US-20030207883-A1 Indazole benzimidazole compounds CHIRON CORPORATION 2003-11-06 US disclosed
WO-2003004488-A1 INDAZOLE BENZIMIDAZOLE COMPOUNDS AS TYROSINE AND SERINE/THREONINE KINASE INHIBITORS CHIRON CORPORATION (US) 2003-01-16 WO 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-20060079564-A1 Indazole benzimidazole compounds ABL1, ABL2, ALK QPCT 1549/4885QPCTL 2609/4885AHR 2977/4885
US-20030207883-A1 Indazole benzimidazole compounds SLCO1B3, SLCO1B1, SLCO4C1 QPCT 2707/4885QPCTL 4249/4885AHR 1611/4885

“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.