SCHEMBL4670199

SCHEMBL4670199

O=[N+]([O-])c1cc(F)c([N+](=O)[O-])cc1F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.62
ATM Q13315 1/20 0.62
ALDH1A1 P00352 6/20 0.60
HIF1A Q16665 3/20 0.60
VCAM1 P19320 1/20 0.56
ESPL1 Q14674 1/20 0.53
MAPT P10636 6/20 0.44
PKM P14618 2/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 2/20 0.43
RECQL P46063 2/20 0.43
HPGD P15428 2/20 0.43

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
SCHEMBL58080 0.95 TDP1 (0.58) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL29403879 0.95 TDP1 (0.58) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL45486 0.92 TDP1 (0.60) TDP1ATMALDH1A1HIF1AVCAM1
Benzene SCHEMBL28328708 0.90 TDP1 (0.54) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL3756498 0.88 TDP1 (0.56) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL30257990 0.88 TDP1 (0.56) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL187542 0.86 TDP1 (0.50) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL8698196 0.86 TDP1 (0.50) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL9921900 0.86 TDP1 (0.50) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL2413345 0.86 TDP1 (0.50) TDP1ATMALDH1A1HIF1AVCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9522870-B2 2,5-disubstituted-1,4-diaminobenzenes HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2016-12-20 US claimed
US-20130237725-A1 2,5-DISUBSTITUTED-1,4-DIAMINOBENZENES HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2013-09-12 US claimed
US-11174258-B2 Benzimidazolo[1,2-a]benzimidazole derivatives for organic light emitting diodes IDEMITSU KOSAN CO., LTD. (JP) 2021-11-16 US disclosed
US-20190002469-A1 BENZIMIDAZOLO[1,2-A]BENZIMIDAZOLE DERIVATIVES FOR ORGANIC LIGHT EMITTING DIODES IDEMITSU KOSAN CO., LTD. (JP) 2019-01-03 US disclosed
US-20180037590-A1 SUBSTITUTED QUINOLINES AS PDE-10 INHIBITORS SUNOVION PHARMACEUTICALS INC. 2018-02-08 US disclosed
US-9834564-B2 Substituted quinolines as PDE-10 inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2017-12-05 US disclosed
US-9834564-B2 Substituted quinolines as PDE-10 inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2017-12-05 US disclosed
WO-2017093958-A1 BENZIMIDAZOLO[1,2-A]BENZIMIDAZOLE DERIVATIVES FOR ORGANIC LIGHT EMITTING DIODES IDEMITSU KOSAN CO., LTD. (JP) 2017-06-08 WO disclosed
US-9653745-B2 Block copolymer, manufacturing method therefor, and polymer electrolyte material, molded polymer electrolyte, and solid-polymer fuel cell using said block copolymer TORAY INDUSTRIES, INC. (JP) 2017-05-16 US disclosed
US-9653745-B2 Block copolymer, manufacturing method therefor, and polymer electrolyte material, molded polymer electrolyte, and solid-polymer fuel cell using said block copolymer TORAY INDUSTRIES, INC. (JP) 2017-05-16 US disclosed
EP-2749585-B1 BLOCK COPOLYMER, MANUFACTURING METHOD THEREFOR, AND POLYMER ELECTROLYTE MATERIAL, MOLDED POLYMER ELECTROLYTE, AND SOLID-POLYMER FUEL CELL USING SAID BLOCK COPOLYMER TORAY INDUSTRIES (JP) 2017-03-22 EP disclosed
US-20140193742-A1 BLOCK COPOLYMER, MANUFACTURING METHOD THEREFOR, AND POLYMER ELECTROLYTE MATERIAL, MOLDED POLYMER ELECTROLYTE, AND SOLID-POLYMER FUEL CELL USING SAID BLOCK COPOLYMER TORAY INDUSTRIES, INC. (JP) 2014-07-10 US disclosed
US-20140193742-A1 BLOCK COPOLYMER, MANUFACTURING METHOD THEREFOR, AND POLYMER ELECTROLYTE MATERIAL, MOLDED POLYMER ELECTROLYTE, AND SOLID-POLYMER FUEL CELL USING SAID BLOCK COPOLYMER TORAY INDUSTRIES, INC. (JP) 2014-07-10 US disclosed
US-20130237725-A1 2,5-DISUBSTITUTED-1,4-DIAMINOBENZENES HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2013-09-12 US disclosed
US-20130237725-A1 2,5-DISUBSTITUTED-1,4-DIAMINOBENZENES HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2013-09-12 US disclosed
US-20130237725-A1 2,5-DISUBSTITUTED-1,4-DIAMINOBENZENES HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2013-09-12 US disclosed
US-20130158003-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2013-06-20 US disclosed
US-20130158003-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2013-06-20 US disclosed
WO-2011150156-A2 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2011-12-01 WO disclosed
EP-2003452-A1 Method for diagnosing an allergy Universität für Bodenkultur Wien (AT) 2008-12-17 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 (5 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 TDP1 189/4885ATM 1951/4885ALDH1A1 559/4885
US-20130237725-A1 2,5-DISUBSTITUTED-1,4-DIAMINOBENZENES DDT, PARP2, DDX42 TDP1 777/4885ATM 1159/4885ALDH1A1 143/4885
US-11174258-B2 Benzimidazolo[1,2-a]benzimidazole derivatives for organic light emitting diodes KCNH2, KCNH3, KCNJ2 TDP1 3736/4885ATM 3865/4885ALDH1A1 397/4885
US-20190002469-A1 BENZIMIDAZOLO[1,2-A]BENZIMIDAZOLE DERIVATIVES FOR ORGANIC LIGHT EMITTING DIODES KCNH2, KCNH3, KCNJ2 TDP1 3736/4885ATM 3865/4885ALDH1A1 397/4885
US-20130158003-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF COMT, GPR119, NLN TDP1 2326/4885ATM 3942/4885ALDH1A1 560/4885

“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.