SCHEMBL1265288

SCHEMBL1265288

N#CCc1ccc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
HPGD P15428 2/20 0.55
MAPK1 P28482 4/20 0.47
GAA P10253 3/20 0.47
RXFP1 Q9HBX9 1/20 0.47
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
HIF1A Q16665 1/20 0.46
TXNRD1 Q16881 1/20 0.46
TXNRD3 Q86VQ6 1/20 0.46
TXNRD2 Q9NNW7 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MASP2 O00187 1/20 0.44
F2 P00734 1/20 0.44
MAPT P10636 5/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.41

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
SCHEMBL2538780 0.88 ALDH1A1 (0.55) ALDH1A1HPGDMAPK1GAARXFP1
SCHEMBL13678600 0.81 MAPK1 (0.53) ALDH1A1HPGDMAPK1GAACYP3A4
SCHEMBL5458551 0.80 ALDH1A1 (0.50) ALDH1A1HPGDMAPK1GAACYP3A4
SCHEMBL5237815 0.80 ALDH1A1 (0.50) ALDH1A1HPGDMAPK1GAACYP3A4
SCHEMBL31672179 0.80 ALDH1A1 (0.50) ALDH1A1HPGDMAPK1GAACYP3A4
SCHEMBL258621 0.80 ALDH1A1 (0.50) ALDH1A1HPGDMAPK1GAACYP3A4
SCHEMBL2923553 0.80 ALDH1A1 (0.50) ALDH1A1HPGDMAPK1GAACYP3A4
SCHEMBL17919829 0.80 ALDH1A1 (0.60) ALDH1A1HPGDMAPK1HIF1ATDP1
SCHEMBL148988 0.80 ALDH1A1 (0.50) ALDH1A1HPGDMAPK1GAACYP3A4
SCHEMBL28876849 0.80 ALDH1A1 (0.50) ALDH1A1HPGDMAPK1GAACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110461831-A Substituted indoline derivatives as inhibitors of dengue virus replication JANSSEN PHARMACEUTICALS INC 2019-11-15 CN disclosed
CN-109195949-A The indoline derivative object being substituted as dengue fever virus replication inhibitors 杨森制药公司 2019-01-11 CN disclosed
CN-108884037-A The indoline derivative object being substituted as dengue fever virus replication inhibitors 杨森制药公司 2018-11-23 CN disclosed
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
US-8476434-B2 Protein kinase modulators and method of use AMGEN INC. (US) 2013-07-02 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-20070161677-A1 Bisarylurea derivatives MERCK PATENT GMBH (DE) 2007-07-12 US disclosed
US-20070161677-A1 Bisarylurea derivatives MERCK PATENT GMBH (DE) 2007-07-12 US disclosed
EP-1751136-A2 NITROGENATED HETEROCYCLIC DERIVATIVES AS PROTEIN KINASE MODULATORS AND USE FOR THE TREATMENT OF ANGIOGENESIS AND CANCER AMGEN INC. (US) 2007-02-14 EP 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
WO-2005075425-A2 SUBSTITUTED BISARYLUREA DERIVATIVES AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2005-08-18 WO disclosed
US-6822100-B2 REACTING N-SULFONYL-3-VINYLINDOLE WITH RUTHENIUM COMPLEX IN PRESENCE OF ETHYL DIAZOACETATE AND TOLUENE; PSYCHOLOGICAL, SEXUAL, AND EATING DISORDERS BRISTOL-MYERS SQUIBB COMPANY 2004-11-23 US disclosed
US-6777437-B2 ANTIDEPRESSANTS, ANXIOLYTIC AGENTS. SEXUAL DISORDERS BRISTOL-MYERS SQUIBB COMPANY 2004-08-17 US disclosed
US-20040143003-A1 Cyclopropylindole derivatives as selective serotonin reuptake inhibitors MATTSON RONALD J (US) 2004-07-22 US disclosed
EP-1373203-A1 CYCLOPROPYLINDOLE DERIVATIVES AS SELECTIVE SEROTONIN REUPTAKE INHIBITORS Bristol-Myers Squibb Company (US) 2004-01-02 EP disclosed
US-20030073849-A1 Cyclopropylindole derivatives as selective serotonin reuptake inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-04-17 US disclosed
WO-2002079152-A1 CYCLOPROPYLINDOLE DERIVATIVES AS SELECTIVE SEROTONIN REUPTAKE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-10 WO disclosed
WO-1999043650-A2 PROCESS(ES) FOR THE PREPARATION OF 6-TRIFLUOROMETHYL-INDOLINE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1999-09-02 WO disclosed
WO-1997045408-A1 HERBICIDAL INDOLINES ZENECA LIMITED (GB) 1997-12-04 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-20070161677-A1 Bisarylurea derivatives BRAF, RAF1, NRAS ALDH1A1 764/4885HPGD 3665/4885MAPK1 188/4885
US-20040143003-A1 Cyclopropylindole derivatives as selective serotonin reuptake inhibitors HTR1A, HTR1D, TPH1 ALDH1A1 516/4885HPGD 1626/4885MAPK1 1470/4885
US-20030073849-A1 Cyclopropylindole derivatives as selective serotonin reuptake inhibitors HTR5A, HTR1A, HTR2C ALDH1A1 961/4885HPGD 1566/4885MAPK1 3104/4885
US-20110201602-A1 PROTEIN KINASE MODULATORS AND METHOD OF USE GRK4, MAP4K5, GRK5 ALDH1A1 3475/4885HPGD 750/4885MAPK1 119/4885

“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.