SCHEMBL20436795

SCHEMBL20436795

Cc1cccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.78
DDX3X O00571 2/20 0.69
MAPT P10636 10/20 0.66
MEN1 O00255 7/20 0.66
KMT2A Q03164 7/20 0.66
MAPK1 P28482 3/20 0.66
LMNA P02545 5/20 0.64
HTT P42858 5/20 0.64
SMN1; SMN2 Q16637 3/20 0.61
RAB9A P51151 2/20 0.61
POLB P06746 1/20 0.61
CTDSP1 Q9GZU7 1/20 0.61
ALDH1A1 P00352 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
CXCR1 P25024 1/20 0.57
CXCR2 P25025 1/20 0.57
ALOX5 P09917 1/20 0.57
NPC1 O15118 2/20 0.57
IDH1 O75874 1/20 0.56

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
SCHEMBL4955544 0.88 TRPV1 (0.75) TRPV1DDX3XMAPTMEN1KMT2A
SCHEMBL546131 0.88 TRPV1 (1.00) TRPV1DDX3XMAPTMEN1KMT2A
SCHEMBL15507203 0.86 MEN1 (0.82) DDX3XMAPTMEN1KMT2AMAPK1
SCHEMBL29494984 0.86 MEN1 (0.82) DDX3XMAPTMEN1KMT2AMAPK1
Urea SCHEMBL2156770 0.85 TRPV1 (0.70) TRPV1DDX3XMAPTMEN1KMT2A
SCHEMBL6371141 0.84 TRPV1 (0.76) TRPV1DDX3XMAPTMEN1KMT2A
Urea SCHEMBL2155975 0.84 TRPV1 (0.93) TRPV1DDX3XMAPTMEN1KMT2A
SCHEMBL11898961 0.82 DDX3X (1.00) TRPV1DDX3XMAPTMEN1KMT2A
SCHEMBL10192076 0.78 DDX3X (0.84) TRPV1DDX3XMAPTMEN1KMT2A
SCHEMBL6296073 0.77 MEN1 (0.70) TRPV1DDX3XMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180215705-A1 hTRPV1 CHEMICAL AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-08-02 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-20180215705-A1 hTRPV1 CHEMICAL AGENTS TRPV1, TRPA1, TRPV4 TRPV1 1/4885DDX3X 984/4885MAPT 4496/4885

“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.