SCHEMBL2686398

SCHEMBL2686398

CCOC(=O)c1cnc(N(C)c2cc(C(=O)O)ccc2Cl)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ P2RY12 Q9H244 14/20 0.45
▸ MAPK1 P28482 1/20 0.41
▸ MAPT P10636 1/20 0.40

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
SCHEMBL2685700 0.87 P2RY12 (0.40) ALDH1A1KDM4EP2RY12MAPK1
SCHEMBL2685314 0.81 MAPT (0.47) LMNAP2RY12MAPK1MAPT
SCHEMBL12991880 0.79 P2RY12 (0.48) CYP2C9CYP2C19ALDH1A1P2RY12MAPK1
SCHEMBL1187052 0.76 CYP2C9 (0.47) CYP2C9CYP2C19ALDH1A1LMNAP2RY12
SCHEMBL1179271 0.75 P2RY12 (0.47) CYP2C9CYP2C19ALDH1A1P2RY12MAPK1
SCHEMBL15449653 0.73 CYP2C9 (0.56) CYP2C9CYP2C19ALDH1A1KDM4EP2RY12
SCHEMBL2686396 0.72 ALDH1A1 (0.54) CYP2C9CYP2C19ALDH1A1KDM4ELMNA
SCHEMBL31050105 0.71 ALDH1A1 (0.61) CYP2C9CYP2C19ALDH1A1P2RY12MAPK1
SCHEMBL337203 0.71 ALDH1A1 (0.61) CYP2C9CYP2C19ALDH1A1P2RY12MAPK1
SCHEMBL519387 0.70 CYP2C9 (0.56) CYP2C9CYP2C19ALDH1A1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115827-A1 3-AMINOBENZAMIDE COMPOUNDS AND VANILLOID RECEPTOR SUBTYPE 1 (VR1) INHIBITORS JAPAN TOBACCO INC. (JP) 2012-05-10 — — US disclosed
US-20100022523-A1 3-AMINOBENZAMIDE COMPOUNDS AND VANILLOID RECEPTOR SUBTYPE 1 (VR1) INHIBITORS JAPAN TOBACCO INC. (JP) 2010-01-28 — — US disclosed
EP-1775283-A1 3-AMINOBENAMIDE COMPOUND AND VANILLOID RECEPTOR 1 (VR1) ACTIVITY INHIBITOR Japan Tobacco, Inc. (JP) 2007-04-18 — — EP disclosed
US-20060035939-A1 3-Aminobenzamide compounds and inhibitors of vanilloid receptor subtype 1 (VR1) activity JAPAN TOBACCO INC. (JP) 2006-02-16 — — 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 (3 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-20100022523-A1 3-AMINOBENZAMIDE COMPOUNDS AND VANILLOID RECEPTOR SUBTYPE 1 (VR1) INHIBITORS TRPV1, TRPV6, HVCN1 CYP2C9 1538/4885CYP2C19 1837/4885ALDH1A1 1417/4885
US-20060035939-A1 3-Aminobenzamide compounds and inhibitors of vanilloid receptor subtype 1 (VR1) activity TRPV1, TRPV6, TRPV3 CYP2C9 1581/4885CYP2C19 1857/4885ALDH1A1 1481/4885
US-20120115827-A1 3-AMINOBENZAMIDE COMPOUNDS AND VANILLOID RECEPTOR SUBTYPE 1 (VR1) INHIBITORS TRPV1, TRPV6, HVCN1 CYP2C9 2338/4885CYP2C19 2260/4885ALDH1A1 1643/4885

“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.

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