SCHEMBL1241412

SCHEMBL1241412

O=[N+]([O-])c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 2/20 0.65
KMT2A Q03164 5/20 0.51
MAPT P10636 5/20 0.51
MEN1 O00255 4/20 0.51
NPSR1 Q6W5P4 3/20 0.51
RAB9A P51151 2/20 0.51
MAPK1 P28482 2/20 0.51
NPC1 O15118 1/20 0.51
MYOC Q99972 1/20 0.51
ALDH1A1 P00352 3/20 0.50
SRD5A2 P31213 1/20 0.50
HTT P42858 2/20 0.49
TP53 P04637 1/20 0.49
CASP3 P42574 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
KDM4E B2RXH2 1/20 0.46
PGR P06401 1/20 0.46
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CA1 P00915 2/20 0.44

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
SCHEMBL693976 0.94 HSPB1 (0.55) HSPB1KMT2AMAPTMEN1NPSR1
SCHEMBL1242136 0.89 PGR (0.52) HSPB1KMT2AMAPTMEN1NPSR1
SCHEMBL24155616 0.87 ALDH1A1 (0.61) HSPB1KMT2AMAPTMEN1NPSR1
SCHEMBL10983646 0.84 PGR (0.55) HSPB1KMT2AMAPTMEN1NPSR1
SCHEMBL13581180 0.84 MAPT (0.54) HSPB1KMT2AMAPTMEN1NPSR1
SCHEMBL11689190 0.84 HSPB1 (0.79) HSPB1KMT2AMAPTMEN1NPSR1
4,4'-Oxybis(Nitrobenzene) SCHEMBL134332 0.84 HSPB1 (0.79) HSPB1KMT2AMAPTMEN1NPSR1
SCHEMBL9183872 0.84 HSPB1 (0.79) HSPB1KMT2AMAPTMEN1NPSR1
SCHEMBL2011179 0.84 HSPB1 (0.79) HSPB1KMT2AMAPTMEN1NPSR1
SCHEMBL1242359 0.84 MEN1 (0.59) HSPB1KMT2AMAPTMEN1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3293184-B1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA LP (US) 2020-12-16 EP disclosed
US-10196364-B2 Pyrimidine carboxamides as sodium channel blockers PURDUE PHARMA L.P. (US) 2019-02-05 US disclosed
EP-2964639-B1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA LP (US) 2018-05-02 EP disclosed
EP-3293184-A1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS Purdue Pharma L.P. (US) 2018-03-14 EP disclosed
US-20170298027-A1 PYRIMIDINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2017-10-19 US disclosed
US-20170298027-A1 PYRIMIDINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2017-10-19 US disclosed
US-20170210713-A1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. 2017-07-27 US disclosed
US-20170210713-A1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. 2017-07-27 US disclosed
EP-2753606-B1 PYRIMIDINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA LP (US) 2017-07-05 EP disclosed
US-9656968-B2 Pyrimidines as sodium channel blockers PURDUE PHARMA L.P. 2017-05-23 US disclosed
EP-2072498-A1 N-PHENYLOXAMIDIC ACID DERIVATIVE Institute of Medicinal Molecular Design, Inc. (JP) 2009-06-24 EP disclosed
EP-2072498-A1 N-PHENYLOXAMIDIC ACID DERIVATIVE Institute of Medicinal Molecular Design, Inc. (JP) 2009-06-24 EP disclosed
US-20080249175-A1 N-Phenyloxamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-10-09 US disclosed
US-20080249175-A1 N-Phenyloxamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-10-09 US disclosed
US-20080249175-A1 N-Phenyloxamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-10-09 US disclosed
US-5382686-A Process for preparing nitrodiphenyl (thio) ethers BAYER AKTIENGESELLSCHAFT (DE) 1995-01-17 US disclosed
EP-0304725-B1 PROCESS FOR THE PREPARATION OF NITRO-DIPHENYL(THIO) ETHERS BAYER AG (DE) 1992-01-22 EP disclosed
EP-0304725-A1 Process for the preparation of nitro-diphenyl(thio) ethers BAYER AG (DE) 1989-03-01 EP disclosed
US-4259532-A TRIFLUOROMETHOXYHALOPHENOL E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-03-31 US disclosed
US-4192669-A DERIVATIVES OF 2-(4-(4-(TRIFLUOROMETHOXY)-PHENOXY)PHENOXY)AALKANOIC ACIDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-03-11 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 (4 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-20080249175-A1 N-Phenyloxamide derivatives SERPINE1, SERPINH1, F12 HSPB1 1813/4885KMT2A 2850/4885MAPT 4236/4885
US-10196364-B2 Pyrimidine carboxamides as sodium channel blockers CACNA1A, TRPV1, TRPA1 HSPB1 2948/4885KMT2A 2205/4885MAPT 3859/4885
US-20170298027-A1 PYRIMIDINES AS SODIUM CHANNEL BLOCKERS P2RX3, CACNA1A, P2RX4 HSPB1 2708/4885KMT2A 3494/4885MAPT 3818/4885
US-20170210713-A1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS CACNA1A, TRPV1, TRPA1 HSPB1 2948/4885KMT2A 2205/4885MAPT 3859/4885

“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.