SCHEMBL307250

SCHEMBL307250

COC(=O)CNc1c([N+](=O)[O-])ccc(F)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
ALDH1A1 P00352 5/20 0.41
POLB P06746 2/20 0.41
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
PKM P14618 2/20 0.38
GAA P10253 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 3/20 0.37
RECQL P46063 1/20 0.37
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL309286 0.78 RAB9A (0.52) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL30568884 0.77 MAPT (0.42) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL20512912 0.77 MAPT (0.42) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL30365957 0.76 NPC1 (0.51) MAPTALDH1A1POLBKDM4EKMT2A
SCHEMBL12808594 0.76 SMN1; SMN2 (0.39) MAPTALDH1A1POLBKDM4EKMT2A
SCHEMBL9955398 0.75 LMNA (0.52) MAPTALDH1A1POLBKDM4EKMT2A
SCHEMBL27893370 0.75 LMNA (0.52) MAPTALDH1A1POLBKDM4EPKM
SCHEMBL31170700 0.74 LMNA (0.40) MAPTALDH1A1POLBKDM4EKMT2A
SCHEMBL19782408 0.74 PKM (0.40) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL31180668 0.73 LMNA (0.43) MAPTALDH1A1POLBKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2051967-B1 BENZIMIDAZOLE DERIVATIVES USEFUL IN TREATMENT OF VALLINOID RECEPTOR TRPV1 RELATED DISORDERS NEOMED INST (CA) 2014-12-31 EP 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-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-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-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
CN-101792436-A Benzimidazole derivatives used in the treatment of diseases associated with vanilloid receptor 1 ASTRAZENECA R & D SODERTALJE 2010-08-04 CN disclosed
CN-101522637-A Benzimidazole derivatives useful for the treatment of vanilloid receptor 1-related disorders ASTRAZENECA AB (SE) 2009-09-02 CN disclosed
EP-2051967-A1 BENZIMIDAZOLE DERIVATIVES USEFUL IN TREATMENT OF VALLINOID RECEPTOR TRPV1 RELATED DISORDERS AstraZeneca AB (SE) 2009-04-29 EP 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
US-20080221188-A1 New Benzimidazole Derivatives ASTRAZENECA R&D SODERTALJE (SE) 2008-09-11 US disclosed
WO-2008018827-A1 BENZIMIDAZOLE DERIVATIVES USEFUL IN TREATMENT OF VALLINOID RECEPTOR TRPV1 RELATED DISORDERS ASTRAZENECA AB (SE) 2008-02-14 WO disclosed
WO-2008018827-A1 BENZIMIDAZOLE DERIVATIVES USEFUL IN TREATMENT OF VALLINOID RECEPTOR TRPV1 RELATED DISORDERS ASTRAZENECA AB (SE) 2008-02-14 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-20080221188-A1 New Benzimidazole Derivatives OPRD1, OPRK1, SDHA MAPT 3231/4885ALDH1A1 316/4885POLB 990/4885
US-20110137045-A1 BENZIMIDAZOLE DERIVATIVES OPRD1, OPRK1, SDHA MAPT 3251/4885ALDH1A1 198/4885POLB 908/4885

“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.