SCHEMBL309163

SCHEMBL309163

Nc1ccc(F)c(Cl)c1NCCO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 3/20 0.34
MITF O75030 2/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 2/20 0.34
TTR P02766 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
RAD52 P43351 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 1/20 0.33
RUNX1 Q01196 1/20 0.33
CBFB Q13951 1/20 0.33
TLR9 Q9NR96 1/20 0.33
MAPK1 P28482 2/20 0.33

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
SCHEMBL309355 0.82 KDM4E (0.38) CYP2D6CYP2C19KDM4EMITFLMNA
SCHEMBL309286 0.73 RAB9A (0.52) ALDH1A1POLBRAB9AKMT2AMEN1
SCHEMBL307339 0.71 TSHR (0.40) CYP2D6CYP2C19KDM4EMITFLMNA
SCHEMBL3666211 0.71 POLB (0.46) CYP2D6CYP2C19KDM4EMITFLMNA
Hydrochloric Acid SCHEMBL9012929 0.70 KDM4E (0.44) CYP2D6CYP2C19KDM4EMITFLMNA
SCHEMBL8282316 0.69 ALDH1A1 (0.43) CYP2D6CYP2C19KDM4EALDH1A1POLB
SCHEMBL20897960 0.69 CYP2D6 (0.39) CYP2D6CYP2C19KDM4EMITFLMNA
SCHEMBL1376402 0.68 TAAR1 (0.34) ALDH1A1MAPK1TSHRSMN1; SMN2TNF
SCHEMBL16477260 0.68 LMNA (0.42) CYP2D6CYP2C19LMNAALDH1A1POLB
SCHEMBL10099695 0.68 SMN1; SMN2 (0.43) CYP2D6CYP2C19LMNAALDH1A1POLB

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 CYP2D6 185/4885CYP2C19 224/4885KDM4E 3644/4885
US-20110137045-A1 BENZIMIDAZOLE DERIVATIVES OPRD1, OPRK1, SDHA CYP2D6 168/4885CYP2C19 234/4885KDM4E 3935/4885

“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.