SCHEMBL3286500

SCHEMBL3286500

O=[N+]([O-])c1cc(F)cc([N+](=O)[O-])c1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 9/20 0.61
TTR P02766 4/20 0.58
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
ALDH1A1 P00352 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
CYP1A2 P05177 1/20 0.52
MAPT P10636 1/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
ALOX12 P18054 1/20 0.52
MAPK1 P28482 1/20 0.52
RECQL P46063 1/20 0.52

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
SCHEMBL2078816 0.89 TTR (0.57) GPR35TTRCRHBPCRHR2CA12
SCHEMBL3858194 0.89 TTR (0.67) GPR35TTRCA12CA1CA2
SCHEMBL13113132 0.87 TTR (0.51) GPR35TTRCRHBPCRHR2CA12
SCHEMBL11741676 0.86 MEN1 (0.52) GPR35TTRCRHBPCRHR2CA12
SCHEMBL17744391 0.86 GPR35 (0.65) GPR35TTRCRHBPCRHR2CA12
SCHEMBL103341 0.86 GPR35 (0.65) GPR35TTRCRHBPCRHR2ALDH1A1
SCHEMBL103118 0.86 TTR (0.50) GPR35TTRCRHBPCRHR2CA12
SCHEMBL204106 0.82 TTR (0.55) GPR35TTRCRHBPCRHR2ALDH1A1
SCHEMBL5313614 0.82 TTR (0.47) GPR35TTRCRHBPCRHR2CA12
SCHEMBL20022338 0.81 TTR (0.66) GPR35TTRALDH1A1TDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3936447-A 7-Acylamino-desacetoxy-cephalosporanic acid esters and their production BAYER AKTIENGESELLSCHAFT (DT) 1976-02-03 US claimed
EP-3331861-A1 PROCESS FOR THE PREPARATION OF 5-AMINO-QUINOLIN-2(1H)-ONES AND THEIR TAUTOMER FORMS 5-AMINO-QUINOLIN-2-OLS Bayer Pharma Aktiengesellschaft (DE) 2018-06-13 EP disclosed
WO-2017025371-A1 PROCESS FOR THE PREPARATION OF 5-AMINO-QUINOLIN-2(1H)-ONES AND THEIR TAUTOMER FORMS 5-AMINO-QUINOLIN-2-OLS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-02-16 WO disclosed
WO-2017025371-A1 PROCESS FOR THE PREPARATION OF 5-AMINO-QUINOLIN-2(1H)-ONES AND THEIR TAUTOMER FORMS 5-AMINO-QUINOLIN-2-OLS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-02-16 WO disclosed
US-8901141-B2 Tricyclic compounds having corticotropin-releasing factor antagonistic activity and pharmaceutical compositions containing them TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2014-12-02 US disclosed
EP-2032583-B1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2014-11-19 EP disclosed
EP-2240485-B1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TAKEDA PHARMACEUTICAL (JP) 2014-10-15 EP disclosed
US-8785460-B2 Tricyclic compounds and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-22 US disclosed
US-8318761-B2 Substituted arylsulfonamides as antiviral agents AICURIS GMBH & CO. KG (DE) 2012-11-27 US disclosed
US-8203001-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-19 US disclosed
US-7196087-B2 Quinazolinone and benzoxazinone derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2007-03-27 US disclosed
EP-1708713-A1 1-BENZYL-5-PIPERAZIN-1-YL-3,4 DIHYDRO-1H-QUINAZOLIN-2-ONE DERIVATIVES AND THE RESPECTIVE 1H-BENZO(1,2,6)THIADIAZINE-2,2-DIOXIDE AND 1,4-DIHYDRO-BENZO(D)(1,3)OXAZIN-2-ONE DERIVATIVES AS MODULATORS OF THE 5-HYDROXYTRYPTAMINE RECEPTOR (5-HT) FOR THE TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM F. Hoffman-la Roche AG (CH) 2006-10-11 EP disclosed
EP-1677791-A2 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2006-07-12 EP disclosed
US-20060040997-A1 Benzthiazole-3 oxides useful for the treatment of proliferative disorders CYCLACEL LIMITED (GB) 2006-02-23 US disclosed
EP-1589967-A1 BENZTHIAZOLE-3 OXIDES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Cyclacel Limited (GB) 2005-11-02 EP disclosed
WO-2005067933-A1 1-BENZYL-5-PIPERAZIN-1-YL-3,4 DIHYDRO-1H-QUINAZOLIN-2-ONE DERIVATIVES AND THE RESPECTIVE 1H-BENZO(1,2,6)THIADIAZINE-2,2-DIOXIDE AND 1,4-DIHYDRO-BENZO(D) (1,3)OXAZIN-2-ONE DERIVATIVES AS MODULATORS OF THE 5-HYDROXYTRYPTAMINE RECEPTOR (5-HT) FOR THE TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM F. HOFFMANN-LA ROCHE AG (CH) 2005-07-28 WO disclosed
US-20050165001-A1 Quinazolinone and benzoxazinone derivatives and uses thereof ROCHE PALO ALTO LLC 2005-07-28 US disclosed
WO-2005044793-A2 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-19 WO disclosed
WO-2004067000-A1 BENZTHIAZOLE-3 OXIDES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISORDERS CYCLACEL LIMITED (GB) 2004-08-12 WO disclosed
US-3936447-A 7-Acylamino-desacetoxy-cephalosporanic acid esters and their production BAYER AKTIENGESELLSCHAFT (DT) 1976-02-03 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 (2 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-20060040997-A1 Benzthiazole-3 oxides useful for the treatment of proliferative disorders CBR3, FGFR3, CCNH GPR35 2167/4885TTR 2904/4885CRHBP 3176/4885
US-20050165001-A1 Quinazolinone and benzoxazinone derivatives and uses thereof NQO2, MLX, CYP4X1 GPR35 3066/4885TTR 4767/4885CRHBP 4611/4885

“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.