SCHEMBL1264449

SCHEMBL1264449

O=[N+]([O-])c1cc(C(F)(F)F)ccc1CCl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
TSHR P16473 3/20 0.54
CYP3A4 P08684 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.54
HIF1A Q16665 1/20 0.54
TXNRD1 Q16881 1/20 0.54
TXNRD3 Q86VQ6 1/20 0.54
TXNRD2 Q9NNW7 1/20 0.54
GAA P10253 3/20 0.48
MAPK1 P28482 4/20 0.47
EPAS1 Q99814 1/20 0.46
MAPT P10636 6/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HTT P42858 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 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
SCHEMBL258621 0.87 ALDH1A1 (0.50) ALDH1A1TSHRCYP3A4TDP1HPGD
SCHEMBL6478819 0.85 ALDH1A1 (0.49) ALDH1A1TSHRCYP3A4TDP1HPGD
SCHEMBL13678600 0.85 MAPK1 (0.53) ALDH1A1TSHRCYP3A4TDP1HPGD
Ammonia Solution, Strong SCHEMBL28018495 0.84 ALDH1A1 (0.47) ALDH1A1TSHRCYP3A4TDP1HPGD
SCHEMBL5237815 0.83 ALDH1A1 (0.50) ALDH1A1TSHRCYP3A4TDP1HPGD
SCHEMBL5458551 0.83 ALDH1A1 (0.50) ALDH1A1TSHRCYP3A4TDP1HPGD
SCHEMBL31672179 0.83 ALDH1A1 (0.50) ALDH1A1TSHRCYP3A4TDP1HPGD
SCHEMBL2923553 0.83 ALDH1A1 (0.50) ALDH1A1TSHRCYP3A4TDP1HPGD
SCHEMBL148988 0.83 ALDH1A1 (0.50) ALDH1A1TSHRCYP3A4TDP1HPGD
SCHEMBL6642332 0.83 ALDH1A1 (0.51) ALDH1A1TSHRCYP3A4TDP1HPGD

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1751136-B1 NITROGENATED HETEROCYCLIC DERIVATIVES AS PROTEIN KINASE MODULATORS AND USE FOR THE TREATMENT OF ANGIOGENESIS AND CANCER AMGEN INC (US) 2014-07-02 EP disclosed
EP-1620391-B1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2014-01-15 EP disclosed
US-8476434-B2 Protein kinase modulators and method of use AMGEN INC. (US) 2013-07-02 US disclosed
CN-101212973-B 4-phenyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline derivatives as medicaments for the treatment of infertility ORGANON NV 2011-11-16 CN disclosed
US-8022218-B2 Hypogonadism; N-{3-[2-Bromo-4-(3-cyano-2-methyl-5-oxo-7-propyl-1,4,5,6,7,8-hexahydro-quinolin-4-yl)-6-ethoxy-phenoxymethyl]-phenyl}-3,4,5-trimethoxy-benzamide; low molecular weight hormone mimetics; selective Follicle Stimulating Hormone receptor agonists N.V. ORGANON (NL) 2011-09-20 US disclosed
US-20110201602-A1 PROTEIN KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2011-08-18 US disclosed
US-7880000-B2 N-(5-(1,1- dimethylethyl)-3- isoxazolyl)-4-methyl-3- ((3-(4-pyrimidinyl)-2- pyridinyl)amino)benzamide, used for treating breast cancer or rheumatoid arthritis AMGEN INC. (US) 2011-02-01 US disclosed
US-7696205-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-13 US disclosed
US-7566736-B2 Substituted indoles, compositions containing them, method for the production thereof and their use AVENTIS PHARMA S.A. (FR) 2009-07-28 US disclosed
US-20090099176-A1 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDES PROSIDION LIMITED (GB) 2009-04-16 US disclosed
WO-2006117368-A1 4-PHENYL-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE DERIVATIVES THE TREATMENT OF INFERTILITY N.V. ORGANON (NL) 2006-11-09 WO disclosed
WO-2006061493-A1 SUBSTITUTED INDOLES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE AVENTIS PHARMA S.A. (FR) 2006-06-15 WO disclosed
EP-1620391-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2006-02-01 EP disclosed
US-20060009453-A1 Protein kinase modulators and method of use AMGEN INC. 2006-01-12 US disclosed
WO-2005113494-A2 NITROGENATED HETEROCYCLIC DERIVATIVES AS PROTEIN KINASE MODULATORS AND USE FOR THE TREATMENT OF ANGIOGENESIS AND CANCER AMGEN INC. (US) 2005-12-01 WO disclosed
US-20040235836-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2004-11-25 US disclosed
EP-1478645-A2 QUINOLINONE DERIVATIVES FOR TREATING CELL PROLIFERATION RELATED DISORDERS Amgen Inc. (US) 2004-11-24 EP disclosed
US-6822097-B1 THIAZOLE-SUBSTITUTED QUINOLINE DERIVATIVES; ANTICARCINOGENIC AGENTS, ANTISTROKE AGENTS; APOPTOSIS AND CELL PROLIFERATION TREATMENT; NERVOUS SYSTEM DISORDERS AMGEN, INC. 2004-11-23 US disclosed
WO-2004098516-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-18 WO disclosed
WO-2003066630-A2 QUINOLINONE DERIVATIVES FOR TREATING CELL PROLIFERATION RELATED DISORDERS AMGEN INC. (US) 2003-08-14 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 (4 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-20040235836-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 ALDH1A1 1095/4885TSHR 1088/4885CYP3A4 3972/4885
US-20060009453-A1 Protein kinase modulators and method of use PHKG1, PRKCH, BMP2K ALDH1A1 4013/4885TSHR 1484/4885CYP3A4 2722/4885
US-20090099176-A1 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDES PC, GOT2, PDK1 ALDH1A1 397/4885TSHR 3455/4885CYP3A4 2580/4885
US-20110201602-A1 PROTEIN KINASE MODULATORS AND METHOD OF USE GRK4, MAP4K5, GRK5 ALDH1A1 3475/4885TSHR 1458/4885CYP3A4 1882/4885

“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.