SCHEMBL3586941

SCHEMBL3586941

Cc1cc(C(F)(F)F)c(-c2nc(-c3cc(O)c(O)c([N+](=O)[O-])c3)cs2)cn1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 15/20 0.42
THRB P10828 1/20 0.39
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
C1S P09871 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
GFER P55789 1/20 0.35

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
SCHEMBL3587824 0.85 EIF4E (0.39) EIF4ETHRBC1SGFER
SCHEMBL1447033 0.84 EIF4E (0.46) EIF4ETHRBKDM4EMAPTC1S
SCHEMBL1447141 0.83 THRB (0.41) EIF4ETHRBC1SGFER
SCHEMBL3593837 0.82 COMT (0.39) KDM4EMAPTMAOAMAOB
SCHEMBL3586419 0.82 MAPT (0.39) THRBKDM4EMAPTMAOAMAOB
SCHEMBL3576813 0.81 EIF4E (0.44) EIF4ETHRBKDM4EMAPTGFER
SCHEMBL3583841 0.81 MAPT (0.39) THRBKDM4EMAPTMAOAMAOB
SCHEMBL3588938 0.81 MAPT (0.37) KDM4EMAPTMAOAMAOB
SCHEMBL3576471 0.81 EIF4E (0.46) EIF4ETHRBGFER
SCHEMBL3581810 0.80 MAPT (0.38) KDM4EMAPTMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9446012-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-09-20 US disclosed
US-20140024682-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 2014-01-23 US disclosed
US-8536203-B2 Pharmaceutical compounds BIAL-PORTELA & CA, S.A. (PT) 2013-09-17 US disclosed
EP-2617713-A1 New Pharmaceutical Compounds BIAL - Portela & Ca., S.A. (PT) 2013-07-24 EP disclosed
US-20100168113-A1 Pharmaceutical Compounds BIAL-PORTELA & CA., S.A. (PT) 2010-07-01 US disclosed
EP-2027091-A1 NEW PHARMACEUTICAL COMPOUNDS BIAL - Portela & Ca., S.A. (PT) 2009-02-25 EP disclosed
CN-101248064-A Nitrocatechol derivatives as COMT inhibitors PORTELA & CA SA (PT) 2008-08-20 CN disclosed
WO-2007117165-A1 NEW PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 2007-10-18 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-20100168113-A1 Pharmaceutical Compounds PMP22, CNR2, OPRL1 EIF4E 4154/4885THRB 3587/4885KDM4E 3648/4885
US-20140024682-A1 PHARMACEUTICAL COMPOUNDS PMP22, CNR2, OPRL1 EIF4E 4154/4885THRB 3587/4885KDM4E 3648/4885

“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.