SCHEMBL3083253

SCHEMBL3083253

O=[N+]([O-])c1ccc([N+](=O)[O-])c(O)c1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 8/20 0.71
ERN1 O75460 1/20 0.54
HPGD P15428 3/20 0.52
TP53 P04637 2/20 0.52
TSHR P16473 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HIF1A Q16665 2/20 0.52
CYP3A4 P08684 1/20 0.52
CTSB P07858 1/20 0.52
CASP6 P55212 2/20 0.52
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
TTR P02766 1/20 0.48
CYP1A2 P05177 1/20 0.48
MAPT P10636 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
SCHEMBL351534 0.90 GPR35 (0.60) GPR35ERN1HPGDTP53TSHR
Water SCHEMBL4383863 0.88 GPR35 (0.58) GPR35ERN1HPGDTP53TSHR
Water SCHEMBL4383860 0.88 GPR35 (0.58) GPR35ERN1HPGDTP53TSHR
SCHEMBL31108747 0.86 GPR35 (0.56) GPR35ERN1TSHRSMN1; SMN2CYP3A4
SCHEMBL4958698 0.85 GPR35 (0.60) GPR35ERN1HPGDTP53TSHR
SCHEMBL16974400 0.85 GPR35 (0.60) GPR35ERN1HPGDTP53TSHR
SCHEMBL1077970 0.83 GPR35 (1.00) GPR35ERN1TSHRSMN1; SMN2CYP3A4
SCHEMBL4497809 0.82 ERN1 (0.70) GPR35ERN1
SCHEMBL1981517 0.82 GPR35 (0.52) GPR35ERN1TSHRSMN1; SMN2CYP3A4
SCHEMBL12776822 0.82 GPR35 (0.52) GPR35ERN1HPGDTP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120296123-A1 FLUOROETHER-FUNCTIONALIZED NITROAROMATIC COMPOUNDS AND DERIVATIVES THEREOF E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-11-22 US claimed
US-20120296122-A1 FLUOROETHER-FUNCTIONALIZED AMINOAROMATIC COMPOUNDS AND DERIVATIVES THEREOF E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-11-22 US claimed
WO-2012158303-A2 FLUOROETHER-FUNCTIONALIZED AMINOAROMATIC COMPOUNDS AND DERIVATIVES THEREOF E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-11-22 WO claimed
WO-2012158302-A2 FLUOROETHER-FUNCTIONALIZED NITROAROMATIC COMPOUNDS AND DERIVATIVES THEREOF E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-11-22 WO claimed
US-20120296123-A1 FLUOROETHER-FUNCTIONALIZED NITROAROMATIC COMPOUNDS AND DERIVATIVES THEREOF E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-11-22 US disclosed
US-20120296122-A1 FLUOROETHER-FUNCTIONALIZED AMINOAROMATIC COMPOUNDS AND DERIVATIVES THEREOF E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-11-22 US disclosed
WO-2012158302-A2 FLUOROETHER-FUNCTIONALIZED NITROAROMATIC COMPOUNDS AND DERIVATIVES THEREOF E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-11-22 WO disclosed
WO-2012158303-A2 FLUOROETHER-FUNCTIONALIZED AMINOAROMATIC COMPOUNDS AND DERIVATIVES THEREOF E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-11-22 WO disclosed
US-7833331-B2 Non-toxic corrosion-protection pigments based on cobalt UNIVERSITY OF DAYTON (US) 2010-11-16 US disclosed
US-7789958-B2 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON (US) 2010-09-07 US disclosed
US-20090163628-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON COBALT STURGILL JEFFREY ALLEN 2009-06-25 US disclosed
US-7422793-B2 Non-toxic corrosion-protection rinses and seals based on rare earth elements UNIVERSITY OF DAYTON (US) 2008-09-09 US disclosed
US-20040020568-A1 Non-toxic corrosion-protection conversion coats based on rare earth elements DAYTON, UNIVERSITY OF 2004-02-05 US disclosed
US-20040016910-A1 Non-toxic corrosion-protection rinses and seals based on rare earth elements DAYTON, UNIVERSITY OF 2004-01-29 US disclosed
US-20040011252-A1 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON 2004-01-22 US disclosed
US-20030234063-A1 Non-toxic corrosion-protection conversion coats based on cobalt DAYTON, UNIVERSITY OF 2003-12-25 US disclosed
US-20030230363-A1 Non-toxic corrosion-protection rinses and seals based on cobalt UNIVERSITY OF DAYTON 2003-12-18 US disclosed
WO-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 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 (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-20120296123-A1 FLUOROETHER-FUNCTIONALIZED NITROAROMATIC COMPOUNDS AND DERIVATIVES THEREOF PFAS, PARG, PARN GPR35 3412/4885ERN1 3033/4885HPGD 403/4885
US-20120296122-A1 FLUOROETHER-FUNCTIONALIZED AMINOAROMATIC COMPOUNDS AND DERIVATIVES THEREOF PARG, PARN, AADAC GPR35 3445/4885ERN1 3583/4885HPGD 1425/4885

“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.