SCHEMBL1010123

SCHEMBL1010123

O=[N+]([O-])/C=C/c1ccccc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.54
RXRA P19793 1/20 0.53
FBP1 P09467 5/20 0.50
TLR4 O00206 1/20 0.49
TLR2 O60603 1/20 0.49
MAOB P27338 4/20 0.46
P4HB P07237 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
PRMT1 Q99873 1/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
MAOA P21397 1/20 0.42
BACE1 P56817 1/20 0.42
TNF P01375 2/20 0.41
IL6 P05231 1/20 0.41
RAB9A P51151 1/20 0.41
NOD1 Q9Y239 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
SCHEMBL1010124 1.00 NFKB1 (0.54) NFKB1RXRAFBP1TLR4TLR2
SCHEMBL15056166 0.78 FBP1 (0.50) RXRAFBP1TLR4TLR2MAOB
SCHEMBL15056165 0.78 FBP1 (0.50) RXRAFBP1TLR4TLR2MAOB
SCHEMBL28627478 0.77 FBP1 (0.49) RXRAFBP1TLR4TLR2MAOB
SCHEMBL28627476 0.77 FBP1 (0.49) RXRAFBP1TLR4TLR2MAOB
SCHEMBL470811 0.76 NFE2L2 (0.58) RXRAFBP1TLR4TLR2PRMT1
SCHEMBL30914655 0.76 NFE2L2 (0.58) RXRAFBP1TLR4TLR2PRMT1
SCHEMBL4723192 0.76 NFE2L2 (0.58) RXRAFBP1TLR4TLR2PRMT1
SCHEMBL29072766 0.74 TLR4 (0.56) RXRAFBP1TLR4TLR2MAOB
SCHEMBL29072764 0.74 TLR4 (0.56) RXRAFBP1TLR4TLR2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110245223-A1 HETEROCYCLIC COMPOUNDS JAPAN TOBACCO INC. (JP) 2011-10-06 US claimed
EP-1889842-A1 HETEROCYCLIC COMPOUND Japan Tobacco, Inc. (JP) 2008-02-20 EP claimed
US-20070072908-A1 Heterocyclic compounds JAPAN TOBACCO INC. (JP) 2007-03-29 US claimed
US-7132219-B2 Polymeric antireflective coatings deposited by plasma enhanced chemical vapor deposition BREWER SCIENCE INC. (US) 2006-11-07 US claimed
EP-1397260-A4 POLYMERIC ANTIREFLECTIVE COATINGS DEPOSITED BY PLASMA ENHANCED CHEMICAL VAPOR DEPOSITION BREWER SCIENCE INC (US) 2006-03-08 EP claimed
EP-1397260-A1 POLYMERIC ANTIREFLECTIVE COATINGS DEPOSITED BY PLASMA ENHANCED CHEMICAL VAPOR DEPOSITION Brewer Science, Inc. (US) 2004-03-17 EP claimed
US-20030219541-A1 Polymeric antireflective coatings deposited by plasma enhanced chemical vapor deposition BREWER SCIENCE, INC. 2003-11-27 US claimed
US-20030064608-A1 Polymeric antireflective coatings deposited by plasma enhanced chemical vapor deposition SABNIS RAM W (US) 2003-04-03 US claimed
US-20030054117-A1 Polymeric antireflective coatings deposited by plasma enhanced chemical vapor deposition BREWER SCIENCE, INC. 2003-03-20 US claimed
WO-2002062593-A1 POLYMERIC ANTIREFLECTIVE COATINGS DEPOSITED BY PLASMA ENHANCED CHEMICAL VAPOR DEPOSITION BREWER SCIENCE, INC. (US) 2002-08-15 WO claimed
US-5897940-A Ink jet transparencies XEROX CORPORATION (US) 1999-04-27 US claimed
US-5744273-A Laminatable backing substrates containing fluoro compounds for improved toner flow XEROX CORPORATION (US) 1998-04-28 US claimed
CN-112409408-A Chiral phosphorus sulfur compound and Michael addition method thereof 深圳湾实验室坪山生物医药研发转化中心 2021-02-26 CN disclosed
EP-2770987-B1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2018-04-04 EP disclosed
EP-2900223-B1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2017-10-25 EP disclosed
EP-2900223-B1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2017-10-25 EP disclosed
US-20030054117-A1 Polymeric antireflective coatings deposited by plasma enhanced chemical vapor deposition BREWER SCIENCE, INC. 2003-03-20 US disclosed
WO-2002062593-A1 POLYMERIC ANTIREFLECTIVE COATINGS DEPOSITED BY PLASMA ENHANCED CHEMICAL VAPOR DEPOSITION BREWER SCIENCE, INC. (US) 2002-08-15 WO disclosed
US-5897940-A Ink jet transparencies XEROX CORPORATION (US) 1999-04-27 US disclosed
US-5744273-A Laminatable backing substrates containing fluoro compounds for improved toner flow XEROX CORPORATION (US) 1998-04-28 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-20110245223-A1 HETEROCYCLIC COMPOUNDS HSD11B1, HSD11B2, CYP11B1 NFKB1 345/4885RXRA 1283/4885FBP1 1639/4885
US-20070072908-A1 Heterocyclic compounds HSD11B1, HSD11B2, CYP11B1 NFKB1 345/4885RXRA 1283/4885FBP1 1639/4885

“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.