SCHEMBL2687034

SCHEMBL2687034

CN(c1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)ccc1Cl)c1ncc(CO)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ POLB P06746 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ KCNQ3 O43525 1/20 0.47
▸ KCNQ2 O43526 1/20 0.47
▸ KCNE1 P15382 1/20 0.47
▸ KCNQ1 P51787 1/20 0.47
▸ TRPV1 Q8NER1 5/20 0.45
▸ LMNA P02545 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ HIF1A Q16665 3/20 0.44
▸ EPAS1 Q99814 3/20 0.44
▸ TBXA2R P21731 1/20 0.43
▸ PTGDR Q13258 1/20 0.43
▸ PTGDR2 Q9Y5Y4 1/20 0.43
▸ KIT P10721 1/20 0.43
▸ TRPV4 Q9HBA0 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43

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
SCHEMBL2685715 0.93 KCNQ3 (0.45) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL2687840 0.92 SMN1; SMN2 (0.46) MEN1KMT2ANPC1RAB9ATRPV1
SCHEMBL2686437 0.89 MEN1 (0.46) MEN1KMT2ANPC1RAB9AKCNQ3
SCHEMBL2686195 0.88 ABL1 (0.53) MEN1KMT2ATRPV1SMN1; SMN2
SCHEMBL2686892 0.81 ABL1 (0.50) MEN1KMT2ATRPV1SMN1; SMN2
SCHEMBL4062369 0.79 NPC1 (0.49) NPC1RAB9AKCNQ3KCNQ2KCNE1
SCHEMBL2684532 0.78 TRPV1 (0.46) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL2685870 0.78 NPC1 (0.48) MEN1KMT2ANPC1RAB9AKCNQ3
SCHEMBL2684965 0.77 KCNQ3 (0.48) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL2683977 0.77 NPC1 (0.47) NPC1RAB9AKCNQ3KCNQ2KCNE1

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 12 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 claimed
US-20100022523-A1 3-AMINOBENZAMIDE COMPOUNDS AND VANILLOID RECEPTOR SUBTYPE 1 (VR1) INHIBITORS JAPAN TOBACCO INC. (JP) 2010-01-28 — — US claimed
EP-1775283-A1 3-AMINOBENAMIDE COMPOUND AND VANILLOID RECEPTOR 1 (VR1) ACTIVITY INHIBITOR Japan Tobacco, Inc. (JP) 2007-04-18 — — EP claimed
US-20060035939-A1 3-Aminobenzamide compounds and inhibitors of vanilloid receptor subtype 1 (VR1) activity JAPAN TOBACCO INC. (JP) 2006-02-16 — — US claimed
US-20120115827-A1 3-AMINOBENZAMIDE COMPOUNDS AND VANILLOID RECEPTOR SUBTYPE 1 (VR1) INHIBITORS JAPAN TOBACCO INC. (JP) 2012-05-10 — — US disclosed
US-20120115827-A1 3-AMINOBENZAMIDE COMPOUNDS AND VANILLOID RECEPTOR SUBTYPE 1 (VR1) INHIBITORS JAPAN TOBACCO INC. (JP) 2012-05-10 — — US disclosed
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
US-20100022523-A1 3-AMINOBENZAMIDE COMPOUNDS AND VANILLOID RECEPTOR SUBTYPE 1 (VR1) INHIBITORS JAPAN TOBACCO INC. (JP) 2010-01-28 — — 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 MEN1 3263/4885KMT2A 2124/4885POLB 4440/4885
US-20060035939-A1 3-Aminobenzamide compounds and inhibitors of vanilloid receptor subtype 1 (VR1) activity TRPV1, TRPV6, TRPV3 MEN1 3079/4885KMT2A 1784/4885POLB 4497/4885
US-20120115827-A1 3-AMINOBENZAMIDE COMPOUNDS AND VANILLOID RECEPTOR SUBTYPE 1 (VR1) INHIBITORS TRPV1, TRPV6, HVCN1 MEN1 2315/4885KMT2A 2394/4885POLB 4551/4885

“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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