Benzimidazole

Benzimidazole

SCHEMBL3540063

Nc1n[nH]c2ccccc12.c1ccc2[nH]cnc2c1

nearest known ligand 0.67

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 6/20 0.67
KDM4E B2RXH2 4/20 0.67
GAA P10253 2/20 0.67
CYP3A4 P08684 1/20 0.67
CA12 O43570 1/20 0.43
PARP1 P09874 1/20 0.43
ALOX15 P16050 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA9 Q16790 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
PRKCI P41743 1/20 0.43
JAK2 O60674 4/20 0.42
MAPT P10636 2/20 0.42
RAD52 P43351 1/20 0.42
AURKA O14965 2/20 0.41
ALDH1A1 P00352 2/20 0.41
ALPL P05186 1/20 0.41
IDO1 P14902 1/20 0.41
HPGD P15428 1/20 0.41
TTK P33981 1/20 0.41

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
SCHEMBL18878 0.82 PDPK1 (1.00) PDPK1KDM4EGAACYP3A4JAK2
SCHEMBL29481432 0.82 PDPK1 (1.00) PDPK1KDM4EGAACYP3A4JAK2
Benzimidazole SCHEMBL5404384 0.80 PRKCI (0.52) PDPK1KDM4EGAACYP3A4CA12
Benzimidazole SCHEMBL29408372 0.80
Benzimidazole SCHEMBL461969 0.80 SMN1; SMN2 (0.50) PDPK1KDM4EGAACYP3A4CA12
Benzimidazole SCHEMBL29358377 0.80
Benzimidazole SCHEMBL10931770 0.80 SMN1; SMN2 (0.50) PDPK1KDM4EGAACYP3A4CA12
Benzimidazole SCHEMBL6009 0.80
Benzimidazole SCHEMBL6583805 0.78 PRKCI (0.62) PDPK1KDM4EGAACA12PARP1
Benzimidazole SCHEMBL6583807 0.78 PRKCI (0.52) PDPK1KDM4EGAACYP3A4CA12

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 2 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-20060079564-A1 Indazole benzimidazole compounds CHIRON CORPORATION 2006-04-13 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 (1 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 PDPK1 1862/4885KDM4E 2648/4885GAA 1060/4885

“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.