SCHEMBL496039

SCHEMBL496039

Nc1cc(Cl)c2c(c1)NC(=O)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 5/20 0.44
CMA1 P23946 2/20 0.44
CA9 Q16790 1/20 0.40
GSK3B P49841 6/20 0.38
CCNB2 O95067 5/20 0.38
CDK1 P06493 5/20 0.38
CCNB1 P14635 5/20 0.38
CCNB3 Q8WWL7 5/20 0.38
CDK5 Q00535 5/20 0.38
CDK5R1 Q15078 5/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
RIPK1 Q13546 1/20 0.35
GSK3A P49840 1/20 0.35
THRB P10828 1/20 0.34
PGR P06401 1/20 0.34
GRIA1 P42261 1/20 0.34
CACNG8 Q8WXS5 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34

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
SCHEMBL10130338 0.78 AHR (0.44) AHRCMA1GSK3BCCNB2CDK1
SCHEMBL12992123 0.78 GRIA1 (0.41) AHRCMA1CA9GSK3BCCNB2
SCHEMBL28072470 0.75 TDP1 (0.41) AHRCMA1CA9GSK3BCCNB2
SCHEMBL23408301 0.74 AHR (0.41) AHRCMA1GSK3BCCNB2CDK1
SCHEMBL496908 0.74 CA9 (0.37) AHRCMA1CA9GSK3BCCNB2
SCHEMBL13037464 0.74 CA9 (0.37) AHRCMA1CA9GSK3BCCNB2
SCHEMBL3600619 0.71 IL4I1 (0.44) CA9ALDH1A1CYP3A4PGR
SCHEMBL1163301 0.70 AHR (0.53) AHRCMA1ALDH1A1CYP3A4THRB
SCHEMBL253953 0.69 AHR (0.52) AHRCMA1GSK3BCCNB2CDK1
SCHEMBL624585 0.69 CCNB2 (0.54) AHRCMA1GSK3BCCNB2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1955697-B1 2-AMINOBENZAMIDE DERIVATIVES AS VANILLOID RECEPTOR 1 (VR1) INHIBITORS USEFUL FOR THE TREATMENT OF PAIN OR BLADDER FUNCTION DISORDER ASTELLAS PHARMA INC (JP) 2012-05-02 EP disclosed
US-8106190-B2 2-aminobenzamide derivatives ASTELLAS PHARMA INC. (JP) 2012-01-31 US disclosed
US-8106190-B2 2-aminobenzamide derivatives ASTELLAS PHARMA INC. (JP) 2012-01-31 US disclosed
US-8106190-B2 2-aminobenzamide derivatives ASTELLAS PHARMA INC. (JP) 2012-01-31 US disclosed
US-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-09-17 US disclosed
US-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-09-17 US disclosed
US-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-09-17 US disclosed
CN-101312720-A 2-aminobenzamide derivative ASTELLAS PHARMA INC (JP) 2008-11-26 CN disclosed
EP-1955697-A1 2-AMINOBENZAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-08-13 EP 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-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE TRPV1, TRPV2, TRPV5 AHR 472/4885CMA1 970/4885CA9 1791/4885

“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.