SCHEMBL2686964

SCHEMBL2686964

COCOc1c(C(=O)O)cccc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
L3MBTL1 Q9Y468 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
ALDH1A1 P00352 4/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
AKR1B10 O60218 1/20 0.41
AKR1B1 P15121 1/20 0.41
AKR1C4 P17516 1/20 0.41
AKR1C1 Q04828 1/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 2/20 0.41
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41
MAPK1 P28482 1/20 0.41
CTSD P07339 1/20 0.41

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
SCHEMBL1548941 0.87 ALDH1A1 (0.53) TSHRL3MBTL1TDP1KMT2AMEN1
SCHEMBL23779237 0.85 TSHR (0.58) TSHRL3MBTL1TDP1KMT2AMEN1
SCHEMBL521662 0.83 TSHR (0.68) TSHRL3MBTL1TDP1KMT2AMEN1
SCHEMBL27651187 0.83 TSHR (0.55) TSHRL3MBTL1TDP1KMT2AMEN1
SCHEMBL14329478 0.80 TSHR (0.58) TSHRL3MBTL1TDP1KMT2AMEN1
SCHEMBL3093865 0.80 CTSV (0.58) TSHRL3MBTL1TDP1KMT2AMEN1
SCHEMBL20672346 0.80 TSHR (0.51) TSHRL3MBTL1TDP1KMT2AMEN1
SCHEMBL11757420 0.79 TSHR (0.50) TSHRL3MBTL1TDP1KMT2AMEN1
SCHEMBL11757422 0.79 TSHR (0.50) TSHRL3MBTL1TDP1KMT2AMEN1
SCHEMBL27658559 0.78 HSPB1 (0.46) TSHRL3MBTL1TDP1KMT2AMEN1

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 TSHR 1782/4885L3MBTL1 2260/4885TDP1 3226/4885
US-20060035939-A1 3-Aminobenzamide compounds and inhibitors of vanilloid receptor subtype 1 (VR1) activity TRPV1, TRPV6, TRPV3 TSHR 1781/4885L3MBTL1 2218/4885TDP1 3664/4885
US-20120115827-A1 3-AMINOBENZAMIDE COMPOUNDS AND VANILLOID RECEPTOR SUBTYPE 1 (VR1) INHIBITORS TRPV1, TRPV6, HVCN1 TSHR 2194/4885L3MBTL1 2544/4885TDP1 3184/4885

“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.