SCHEMBL1446795

SCHEMBL1446795

O=[N+]([O-])c1cc(-c2csc(-c3ccc[n+]([O-])c3F)n2)cc(O)c1O

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 19/20 0.46
THRB P10828 1/20 0.39

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
SCHEMBL1446847 0.87 EIF4E (0.46) EIF4ETHRB
SCHEMBL1447590 0.82 THRB (0.44) EIF4ETHRB
SCHEMBL1447270 0.82 COMT (0.39) THRB
SCHEMBL3589876 0.81 EIF4E (0.47) EIF4ETHRB
SCHEMBL1447452 0.81 COMT (0.37) EIF4ETHRB
SCHEMBL1448329 0.80 EIF4E (0.41) EIF4ETHRB
SCHEMBL3590669 0.79 EIF4E (0.44) EIF4ETHRB
SCHEMBL1446778 0.79 TUBB4A (0.39) THRB
SCHEMBL1447262 0.78 COMT (0.48) THRB
SCHEMBL2687290 0.77 EIF4E (0.44) EIF4ETHRB

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220388999-A1 NITROCATECHOL DERIVATIVES AS COMT INHIBITORS BIAL PORTELA & CA SA (PT) 2022-12-08 US disclosed
US-20200102295-A1 NITROCATECHOL DERIVATIVES AS COMT INHIBITORS BIAL - PORTELA & CA, S.A. (PT) 2020-04-02 US disclosed
US-10336740-B2 Nitrocatechol derivatives as COMT inhibitors BIAL—PORTELA & CA, S.A. (PT) 2019-07-02 US disclosed
US-20170362213-A1 NITROCATECHOL DERIVATIVES AS COMT INHIBITORS PORTELA & COMPANHIA, S.A. (PT) 2017-12-21 US disclosed
US-9550759-B2 Nitrocatechol derivatives as COMT inhibitors BIAL—PORTELA & CA, S.A. (PT) 2017-01-24 US disclosed
EP-1907382-B1 NITROCATECHOL DERIVATIVES AS COMT INHIBITORS BIAL PORTELA & CA SA (PT) 2015-05-27 EP disclosed
US-20150072977-A1 NITROCATECHOL DERIVATIVES AS COMT INHIBITORS BIAL - PORTELA & CA, S.A. (PT) 2015-03-12 US disclosed
US-8907099-B2 Nitrocatechol derivatives as COMT inhibitors BIAL-PORTELA & CA, S.A. (PT) 2014-12-09 US disclosed
US-20120196904-A1 NITROCATECHOL DERIVATIVES AS COMT INHIBITORS PORTELA & CA., S.A. (PT) 2012-08-02 US disclosed
US-8168793-B2 Nitrocatechol derivatives as COMT inhibitors PORTELA & CA., S.A. (PT) 2012-05-01 US disclosed
EP-2301934-A1 Nitrocatechol derivatives as COMT inhibitors BIAL - Portela & Ca., S.A. (PT) 2011-03-30 EP disclosed
US-20090054437-A1 Nitrocatechol Derivatives as Comt Inhibitors PORTELA & CA., S.A. (PT) 2009-02-26 US disclosed
EP-1907382-A1 NITROCATECHOL DERIVATIVES AS COMT INHIBITORS Portela & C.A. S.A (PT) 2008-04-09 EP disclosed
WO-2007013830-A1 NITROCATECHOL DERIVATIVES AS COMT INHIBITORS PORTELA & CA. S.A. (PT) 2007-02-01 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 (7 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-20170362213-A1 NITROCATECHOL DERIVATIVES AS COMT INHIBITORS COMT, PNMT, OPRK1 EIF4E 3185/4885THRB 1444/4885
US-20150072977-A1 NITROCATECHOL DERIVATIVES AS COMT INHIBITORS COMT, PNMT, OPRK1 EIF4E 3185/4885THRB 1444/4885
US-20220388999-A1 NITROCATECHOL DERIVATIVES AS COMT INHIBITORS COMT, PNMT, OPRK1 EIF4E 3207/4885THRB 1358/4885
US-20090054437-A1 Nitrocatechol Derivatives as Comt Inhibitors COMT, PNMT, OPRK1 EIF4E 3185/4885THRB 1444/4885
US-10336740-B2 Nitrocatechol derivatives as COMT inhibitors COMT, PNMT, OPRK1 EIF4E 3185/4885THRB 1444/4885
US-20200102295-A1 NITROCATECHOL DERIVATIVES AS COMT INHIBITORS COMT, PNMT, OPRK1 EIF4E 3207/4885THRB 1358/4885
US-20120196904-A1 NITROCATECHOL DERIVATIVES AS COMT INHIBITORS COMT, PNMT, OPRK1 EIF4E 3185/4885THRB 1444/4885

“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.