SCHEMBL10110183

SCHEMBL10110183

N#Cc1cccc2ncn(CC(N)=O)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 1/20 0.40
AR P10275 2/20 0.39
TRPA1 O75762 3/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CDYL2 Q8N8U2 1/20 0.36
CDYL Q9Y232 1/20 0.36
CDY1; CDY1B Q9Y6F8 1/20 0.36
EGLN3 Q9H6Z9 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
HSD17B13 Q7Z5P4 1/20 0.35
EIF4EBP1 Q13541 1/20 0.35
RECQL P46063 1/20 0.35
USP2 O75604 1/20 0.35
MAPK1 P28482 1/20 0.35
CA12 O43570 1/20 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
SCHEMBL306877 0.87 STAT3 (0.47) KDM4ENPC1ARCYP3A4CYP2D6
SCHEMBL14292057 0.82 KDM4E (0.43) KDM4ENPC1TRPA1CYP3A4CYP2D6
SCHEMBL12985518 0.79 ALDH1A1 (0.42) KDM4ENPC1TRPA1SMN1; SMN2
SCHEMBL308134 0.78 DPP4 (0.43) AREGLN3EIF4EBP1USP2MAPK1
SCHEMBL6012147 0.78 DPP4 (0.43) AREGLN3EIF4EBP1USP2MAPK1
SCHEMBL2691958 0.75 FGFR1 (0.52) KDM4ENPC1SMN1; SMN2GAA
SCHEMBL5436984 0.75 MAPT (0.53) KDM4ENPC1CYP2C19USP2IDO1
SCHEMBL2692682 0.75 TRPV1 (0.53) TRPA1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4978479 0.74 SMN1; SMN2 (0.66) KDM4ENPC1ARSMN1; SMN2
SCHEMBL4973789 0.74 SMN1; SMN2 (0.49) KDM4ENPC1ARSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020142842-A1 CRYSTALLINE FORMS OF (S)-2-(7-CYANO-1H-BENZIMIDAZOL-1 YL)- N-{1-[4-(1-CYANO-1-METHYLETHYL)PHENYL]ETHYL}ACETAMIDE NEOMED INSTITUTE - INSTITUT NEOMED (CA) 2020-07-16 WO disclosed
EP-2051967-B1 BENZIMIDAZOLE DERIVATIVES USEFUL IN TREATMENT OF VALLINOID RECEPTOR TRPV1 RELATED DISORDERS NEOMED INST (CA) 2014-12-31 EP disclosed
US-8093402-B2 Benzimidazole derivatives ASTRAZENECA AB (SE) 2012-01-10 US disclosed
US-8093402-B2 Benzimidazole derivatives ASTRAZENECA AB (SE) 2012-01-10 US disclosed
US-20110137045-A1 BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2011-06-09 US disclosed
US-20110137045-A1 BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2011-06-09 US disclosed
US-7906654-B2 (S)(-)-2-(7-chloro-6-fluoro-1H-benzimidazol-1-yl)-N-{1-[4-(1-cyano-1-methylethyl)phenyl]ethyl}acetamide; treatment of pain; vanilloid receptor inhibitor; Antagonists maintain analgesic properties, but avoid pungency and neurotoxicity side effects of agonists ASTRAZENECA AB (SE) 2011-03-15 US disclosed
US-7906654-B2 (S)(-)-2-(7-chloro-6-fluoro-1H-benzimidazol-1-yl)-N-{1-[4-(1-cyano-1-methylethyl)phenyl]ethyl}acetamide; treatment of pain; vanilloid receptor inhibitor; Antagonists maintain analgesic properties, but avoid pungency and neurotoxicity side effects of agonists ASTRAZENECA AB (SE) 2011-03-15 US disclosed
US-20080221188-A1 New Benzimidazole Derivatives ASTRAZENECA R&D SODERTALJE (SE) 2008-09-11 US disclosed
US-20080221188-A1 New Benzimidazole Derivatives ASTRAZENECA R&D SODERTALJE (SE) 2008-09-11 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 (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-20080221188-A1 New Benzimidazole Derivatives OPRD1, OPRK1, SDHA KDM4E 3644/4885NPC1 2408/4885AR 2647/4885
US-20110137045-A1 BENZIMIDAZOLE DERIVATIVES OPRD1, OPRK1, SDHA KDM4E 3935/4885NPC1 1931/4885AR 2571/4885

“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.