SCHEMBL4699370

SCHEMBL4699370

Nc1cc([N+](=O)[O-])c(Cl)cc1O

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.86
CYP3A4 P08684 1/20 0.86
MAPK1 P28482 2/20 0.55
TSHR P16473 1/20 0.55
VCAM1 P19320 2/20 0.47
GAA P10253 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
THRB P10828 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PDE7A Q13946 1/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
GPR35 Q9HC97 3/20 0.46
F2 P00734 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44

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
SCHEMBL303378 0.92 ALDH1A1 (1.00) ALDH1A1CYP3A4MAPK1TSHRVCAM1
SCHEMBL30979260 0.84 ALDH1A1 (0.71) ALDH1A1CYP3A4MAPK1TSHRGAA
SCHEMBL10942341 0.84 ALDH1A1 (0.71) ALDH1A1CYP3A4MAPK1TSHRGAA
SCHEMBL1192850 0.84 ALDH1A1 (0.71) ALDH1A1CYP3A4MAPK1TSHRVCAM1
SCHEMBL29596496 0.84 ALDH1A1 (0.71) ALDH1A1CYP3A4MAPK1TSHRVCAM1
SCHEMBL68172 0.84 ALDH1A1 (0.71) ALDH1A1CYP3A4MAPK1TSHRVCAM1
SCHEMBL11588501 0.83 ALDH1A1 (0.81) ALDH1A1CYP3A4MAPK1TSHRVCAM1
SCHEMBL7688649 0.82 ALDH1A1 (0.63) ALDH1A1CYP3A4MAPK1TSHRVCAM1
SCHEMBL11548194 0.82 ALDH1A1 (0.63) ALDH1A1CYP3A4MAPK1TSHRVCAM1
SCHEMBL8767757 0.82 ALDH1A1 (0.63) ALDH1A1CYP3A4MAPK1TSHRVCAM1

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-20160194279-A1 ONE POT PROCESS FOR THE CONVERSION OF AROYL CHLORIDES TO ACYL THIOUREAS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-07-07 US disclosed
WO-2014087431-A1 ONE POT PROCESS FOR THE CONVERSION OF AROYL CHLORIDES TO ACYL THIOUREAS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-06-12 WO disclosed
US-7439236-B2 Pharmaceutical composition for the treatment of CNS and other disorders PFIZER INC (US) 2008-10-21 US disclosed
EP-1219622-B1 Pharmaceutical compositions for CNS and other disorders PFIZER PROD INC (US) 2008-06-18 EP disclosed
US-20070099904-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF CNS AND OTHER DISORDERS PFIZER INC 2007-05-03 US disclosed
US-20050176720-A1 Pharmaceutical composition for the treatment of CNS and other disorders PFIZER INC 2005-08-11 US disclosed
US-6881734-B2 Pharmaceutical composition for the treatment of CNS and other disorders PFIZER INC. (US) 2005-04-19 US disclosed
US-6809094-B2 N-FUSED HETERCYCLO-1,4- OR -1,5- DIAZABICYCLO DERIVATIVES; NICOTINIC RECEPTOR AGONISTS; CENTRAL NERVOUS SYSTEM (CNS) PFIZER INC 2004-10-26 US disclosed
US-20040204416-A1 Pharmaceutical composition for the treatment of CNS and other disorders PFIZER INC 2004-10-14 US disclosed
US-20030119837-A1 Pharmaceutical composition for the treatment of CNS and other disorders PFIZER INC. 2003-06-26 US disclosed
US-20020086871-A1 Pharmaceutical composition for the treatment of CNS and other disorders O'NEILL BRIAN THOMAS (US) 2002-07-04 US disclosed
EP-1219622-A2 Pharmaceutical compositions for CNS and other disorders Pfizer Products Inc. (US) 2002-07-03 EP 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-20050176720-A1 Pharmaceutical composition for the treatment of CNS and other disorders CHRNA7, CHRNA10, CHRNA5 ALDH1A1 1685/4885CYP3A4 1341/4885MAPK1 3693/4885
US-20030119837-A1 Pharmaceutical composition for the treatment of CNS and other disorders CHRNA7, CHRNA5, CHRNA10 ALDH1A1 1704/4885CYP3A4 1171/4885MAPK1 3776/4885
US-20160194279-A1 ONE POT PROCESS FOR THE CONVERSION OF AROYL CHLORIDES TO ACYL THIOUREAS TRRAP, NAT1, AHR ALDH1A1 445/4885CYP3A4 167/4885MAPK1 3506/4885
US-20020086871-A1 Pharmaceutical composition for the treatment of CNS and other disorders CHRNA7, CHRNA5, CHRNA10 ALDH1A1 1704/4885CYP3A4 1171/4885MAPK1 3776/4885
US-20070099904-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF CNS AND OTHER DISORDERS C1QBP, BCHE, BDNF ALDH1A1 2419/4885CYP3A4 589/4885MAPK1 3737/4885
US-20040204416-A1 Pharmaceutical composition for the treatment of CNS and other disorders CHRNA7, CHRNA5, CHRNA10 ALDH1A1 1704/4885CYP3A4 1171/4885MAPK1 3776/4885

“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.