SCHEMBL2686396

SCHEMBL2686396

CCOC(=O)c1cnc(CNc2cc(C(=O)O)ccc2Cl)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ LMNA P02545 1/20 0.54
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ CYP1A2 P05177 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ MAPT P10636 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ P2RY12 Q9H244 11/20 0.44
▸ JAK2 O60674 1/20 0.44
▸ JAK1 P23458 1/20 0.44
▸ TYK2 P29597 1/20 0.44
▸ JAK3 P52333 1/20 0.44

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
SCHEMBL31719401 0.76 P2RY12 (0.44) CYP2C9CYP2C19P2RY12
SCHEMBL15351363 0.74 CYP2C9 (0.49) ALDH1A1L3MBTL1CYP2C9CYP2C19P2RY12
SCHEMBL28080919 0.74 CYP2C9 (0.49) ALDH1A1L3MBTL1CYP2C9CYP2C19P2RY12
SCHEMBL31719406 0.73 DPP4 (0.50) ALDH1A1L3MBTL1CYP2C9CYP2C19P2RY12
Hydrochloric Acid SCHEMBL15350755 0.73 CYP2C9 (0.48) ALDH1A1L3MBTL1CYP2C9CYP2C19P2RY12
SCHEMBL2686398 0.72 CYP2C9 (0.46) ALDH1A1KDM4ELMNAMAPTCYP2C9
SCHEMBL15449653 0.72 CYP2C9 (0.56) ALDH1A1KDM4EL3MBTL1MAPTCYP2C9
SCHEMBL27677948 0.70 ALDH1A1 (0.47) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL23501671 0.70 MEN1 (0.67) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL29933866 0.70 MEN1 (0.67) ALDH1A1KDM4EMEN1KMT2AL3MBTL1

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 ALDH1A1 1417/4885KDM4E 3327/4885LMNA 4503/4885
US-20060035939-A1 3-Aminobenzamide compounds and inhibitors of vanilloid receptor subtype 1 (VR1) activity TRPV1, TRPV6, TRPV3 ALDH1A1 1481/4885KDM4E 3049/4885LMNA 4457/4885
US-20120115827-A1 3-AMINOBENZAMIDE COMPOUNDS AND VANILLOID RECEPTOR SUBTYPE 1 (VR1) INHIBITORS TRPV1, TRPV6, HVCN1 ALDH1A1 1643/4885KDM4E 3809/4885LMNA 4463/4885

“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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