SCHEMBL1995690

SCHEMBL1995690

O=[N+]([O-])c1cc(C(F)(F)F)ccc1C(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
CYP3A4 P08684 2/20 0.56
HPGD P15428 1/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
HIF1A Q16665 1/20 0.56
TXNRD1 Q16881 1/20 0.56
TXNRD3 Q86VQ6 1/20 0.56
TXNRD2 Q9NNW7 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
MAPT P10636 4/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPK1 P28482 2/20 0.51
LMNA P02545 1/20 0.50
KIF11 P52732 1/20 0.49
GAA P10253 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL29398386 1.00 ALDH1A1 (0.56) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL7039417 0.87 ALDH1A1 (0.51) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL28840504 0.87 ALDH1A1 (0.56) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL1998640 0.85 CYP3A4 (0.52) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL29942185 0.84 ALDH1A1 (0.60) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL7240751 0.84 ALDH1A1 (0.60) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL8187684 0.83 ALDH1A1 (0.55) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL28090702 0.82 MAPK1 (0.47) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL11668743 0.81 ALDH1A1 (0.56) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL2158306 0.81 ALDH1A1 (0.56) ALDH1A1CYP3A4HPGDALOX15TSHR

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-8952083-B2 Fluorocopolymer composition and its production process ASAHI GLASS COMPANY, LIMITED (JP) 2015-02-10 US claimed
EP-1468983-B1 PROCESS FOR PRODUCING 2,5-BIS(TRIFLUOROMETHYL)NITROBENZENE ASAHI GLASS CO LTD (JP) 2007-11-21 EP claimed
US-6930214-B2 Process for producing 2,5-bis(trifluoromethyl)nitrobenzene ASAHI GLASS COMPANY, LIMITED (JP) 2005-08-16 US claimed
US-20040242942-A1 Process for producing 2,5-bis(trifluoromethyl)nitrobenzene ASAHI GLASS COMPANY LIMITED (JP) 2004-12-02 US claimed
EP-1468983-A1 PROCESS FOR PRODUCING 2,5-BIS(TRIFLUOROMETHYL)NITROBENZENE ASAHI GLASS COMPANY LTD. (JP) 2004-10-20 EP claimed
JP-63159352-A None JP disclosed
EP-3318561-B1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2021-12-22 EP disclosed
US-10562916-B2 Substituted quinoxalines as PDE-10 inhibitors SUNOVION PHARMACEUTICALS, INC. (US) 2020-02-18 US disclosed
EP-2576540-B1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2019-09-04 EP disclosed
EP-3318561-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2018-05-09 EP disclosed
US-20180037590-A1 SUBSTITUTED QUINOLINES AS PDE-10 INHIBITORS SUNOVION PHARMACEUTICALS INC. 2018-02-08 US disclosed
US-20180037590-A1 SUBSTITUTED QUINOLINES AS PDE-10 INHIBITORS SUNOVION PHARMACEUTICALS INC. 2018-02-08 US disclosed
US-20040242942-A1 Process for producing 2,5-bis(trifluoromethyl)nitrobenzene ASAHI GLASS COMPANY LIMITED (JP) 2004-12-02 US disclosed
US-20040242942-A1 Process for producing 2,5-bis(trifluoromethyl)nitrobenzene ASAHI GLASS COMPANY LIMITED (JP) 2004-12-02 US disclosed
US-20040242942-A1 Process for producing 2,5-bis(trifluoromethyl)nitrobenzene ASAHI GLASS COMPANY LIMITED (JP) 2004-12-02 US disclosed
EP-1468983-A1 PROCESS FOR PRODUCING 2,5-BIS(TRIFLUOROMETHYL)NITROBENZENE ASAHI GLASS COMPANY LTD. (JP) 2004-10-20 EP disclosed
EP-1468983-A1 PROCESS FOR PRODUCING 2,5-BIS(TRIFLUOROMETHYL)NITROBENZENE ASAHI GLASS COMPANY LTD. (JP) 2004-10-20 EP disclosed
WO-2003062187-A1 PROCESS FOR PRODUCING 2,5-BIS(TRIFLUOROMETHYL)NITROBENZENE ASAHI GLASS COMPANY, LIMITED (JP) 2003-07-31 WO disclosed
CN-1333761-A Isothiazolecarboxylic acid derivatives BAYER AGROCHEM KK (JP) 2002-01-30 CN disclosed
JP-S63159352-A 5-TRICHLOROMETHYL-2-TRIFLUOROMETHYLNITROBENZENE AND 4-TRIFLUOROMETHYL-3-NITROBENZOIC ACID AND PRODUCTION THEREOF CENTRAL GLASS CO LTD 1988-07-02 JP 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 (3 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-20180037590-A1 SUBSTITUTED QUINOLINES AS PDE-10 INHIBITORS PDE10A, PDE2A, PDE3A ALDH1A1 559/4885CYP3A4 530/4885HPGD 943/4885
US-10562916-B2 Substituted quinoxalines as PDE-10 inhibitors PDE4A, PDE2A, PDE9A ALDH1A1 1140/4885CYP3A4 1077/4885HPGD 98/4885
US-20040242942-A1 Process for producing 2,5-bis(trifluoromethyl)nitrobenzene NOS2, NOS1, NOX5 ALDH1A1 1871/4885CYP3A4 192/4885HPGD 407/4885

“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.