SCHEMBL14082731

SCHEMBL14082731

O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2cc(C(F)(F)F)ccn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 8/20 0.58
▸ POLB P06746 3/20 0.53
▸ MITF O75030 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ MAPT P10636 5/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ RXFP1 Q9HBX9 1/20 0.53
▸ NPSR1 Q6W5P4 2/20 0.50
▸ GPR17 Q13304 1/20 0.50
▸ ABCG2 Q9UNQ0 1/20 0.48
▸ P4HTM Q9NXG6 1/20 0.48
▸ HDAC1 Q13547 1/20 0.47

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
SCHEMBL14082688 0.89 TRPV1 (0.73) TRPV1NPC1RAB9AHDAC1
SCHEMBL14082633 0.85 TRPV1 (0.65) TRPV1MEN1NPC1RAB9AKMT2A
SCHEMBL26215401 0.85 SCN2A (0.50) MEN1NPC1RAB9AKMT2AMAPT
SCHEMBL5934533 0.84 TRPV1 (0.67) TRPV1
SCHEMBL14082636 0.84 TRPV1 (0.66) TRPV1POLBNPC1RAB9AHDAC1
SCHEMBL14082629 0.84 TRPV1 (0.70) TRPV1POLBNPC1RAB9AMAPT
SCHEMBL14082475 0.83 MMP2 (0.59) POLBMITFMEN1NPC1RAB9A
SCHEMBL11972898 0.82 RAB9A (0.68) TRPV1POLBMITFMEN1NPC1
SCHEMBL13428706 0.82 RAB9A (0.68) TRPV1POLBMITFMEN1NPC1
SCHEMBL28954009 0.82 MAPT (0.53) POLBMITFMEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200524-A1 Amide compounds as ion channel ligands and uses thereof KELLY MICHAEL G 2008-08-21 — — US disclosed
US-7338950-B2 Amide compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2008-03-04 — — 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 (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-20080200524-A1 Amide compounds as ion channel ligands and uses thereof TRPV1, TRPA1, TRPV2 TRPV1 1/4885POLB 4543/4885MITF 3882/4885

“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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