SCHEMBL546131

SCHEMBL546131

Cc1cc([N+](=O)[O-])ccc1NC(=O)Nc1cccc(F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 1.00
MAPT P10636 11/20 0.82
MEN1 O00255 8/20 0.82
KMT2A Q03164 8/20 0.82
MAPK1 P28482 3/20 0.82
LMNA P02545 6/20 0.72
HTT P42858 5/20 0.72
SMN1; SMN2 Q16637 2/20 0.72
ALDH1A1 P00352 1/20 0.72
NPSR1 Q6W5P4 1/20 0.72
DDX3X O00571 2/20 0.66
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.59
POLB P06746 1/20 0.58
CTDSP1 Q9GZU7 1/20 0.58
CXCR1 P25024 2/20 0.55
CXCR2 P25025 2/20 0.55
IDH1 O75874 1/20 0.54

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
Urea SCHEMBL2155975 0.96 TRPV1 (0.93) TRPV1MAPTMEN1KMT2AMAPK1
SCHEMBL20436795 0.88 TRPV1 (0.78) TRPV1MAPTMEN1KMT2AMAPK1
SCHEMBL18013179 0.86 TRPV1 (0.76) TRPV1MAPTMEN1KMT2AMAPK1
SCHEMBL4955544 0.86 TRPV1 (0.75) TRPV1MAPTMEN1KMT2AMAPK1
SCHEMBL18013184 0.86 MEN1 (0.75) TRPV1MAPTMEN1KMT2AMAPK1
SCHEMBL12305621 0.85 TRPV1 (0.73) TRPV1MAPTMEN1KMT2AMAPK1
SCHEMBL6371141 0.85 TRPV1 (0.76) TRPV1MAPTMEN1KMT2AMAPK1
SCHEMBL4554987 0.84 MEN1 (0.82) TRPV1MAPTMEN1KMT2AMAPK1
SCHEMBL27880343 0.83 MEN1 (0.70) TRPV1MAPTMEN1KMT2AMAPK1
SCHEMBL27861138 0.83 MEN1 (0.82) TRPV1MAPTMEN1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080146548-A1 AMIDE, ARYL SULFONAMIDE, ARYL UREA, AND a,b-DIKETONE DERIVED CARBOXYLESTERASE INHIBITORS, AND THEIR METHODS OF USE ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2008-06-19 US claimed
US-20050054691-A1 Carboxylesterase inhibitors ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2005-03-10 US claimed
WO-2005021721-A2 CARBOXYLESTERASE INHIBITORS ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2005-03-10 WO claimed
US-11339122-B2 hTRPV1 chemical agents University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2022-05-24 US disclosed
US-20210171454-A1 hTRPV1 CHEMICAL AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2021-06-10 US disclosed
US-20180215705-A1 hTRPV1 CHEMICAL AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-08-02 US disclosed
US-20180215705-A1 hTRPV1 CHEMICAL AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-08-02 US disclosed
WO-2016127085-A1 hTRPV1 CHEMICAL AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2016-08-11 WO disclosed
EP-2170834-B1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AS INHIBITORS OF PROTEIN KINASES ABBVIE INC (US) 2014-01-08 EP disclosed
US-8110572-B2 Inhibitors of protein kinases ABBOTT LABORATORIES (US) 2012-02-07 US disclosed
EP-2170834-A1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AS INHIBITORS OF PROTEIN KINASES Abbott Laboratories (US) 2010-04-07 EP disclosed
US-20090054430-A1 Inhibitors of Protein Kinases ABBOTT LABORATORIES (US) 2009-02-26 US disclosed
WO-2009012312-A1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AS INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (US) 2009-01-22 WO 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 (6 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-20050054691-A1 Carboxylesterase inhibitors CES1, CES2, BCHE TRPV1 4218/4885MAPT 3726/4885MEN1 4615/4885
US-20080146548-A1 AMIDE, ARYL SULFONAMIDE, ARYL UREA, AND a,b-DIKETONE DERIVED CARBOXYLESTERASE INHIBITORS, AND THEIR METHODS OF USE CES1, BCHE, CES2 TRPV1 4194/4885MAPT 4046/4885MEN1 4755/4885
US-20180215705-A1 hTRPV1 CHEMICAL AGENTS TRPV1, TRPA1, TRPV4 TRPV1 1/4885MAPT 4496/4885MEN1 4341/4885
US-20210171454-A1 hTRPV1 CHEMICAL AGENTS TRPV1, TRPA1, TRPV4 TRPV1 1/4885MAPT 4483/4885MEN1 4488/4885
US-20090054430-A1 Inhibitors of Protein Kinases AURKC, AURKB, PLK1 TRPV1 4714/4885MAPT 654/4885MEN1 950/4885
US-11339122-B2 hTRPV1 chemical agents TRPV1, TRPA1, TRPV4 TRPV1 1/4885MAPT 4496/4885MEN1 4341/4885

“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.