SCHEMBL3587040

SCHEMBL3587040

Cc1nc(Cl)c(-c2nc(-c3cc(O)c(O)c([N+](=O)[O-])c3)cs2)c(C)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.46
THRB P10828 1/20 0.39
EIF4E P06730 12/20 0.37
C1S P09871 1/20 0.37
TTR P02766 1/20 0.36
GPR35 Q9HC97 2/20 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
SCHEMBL3586799 0.93 COMT (0.42) COMTTHRBEIF4EC1STTR
SCHEMBL3577654 0.90 COMT (0.46) COMTTHRBEIF4EC1STTR
SCHEMBL3578955 0.84 COMT (0.40) COMTTHRBEIF4EC1STTR
SCHEMBL3582092 0.84 COMT (0.55) COMTTTRGPR35
SCHEMBL1447339 0.83 COMT (0.65) COMTTHRBEIF4EC1STTR
SCHEMBL1447599 0.82 COMT (0.58) COMTTHRBEIF4EC1STTR
SCHEMBL3577466 0.80 COMT (0.40) COMTTHRBEIF4EC1STTR
SCHEMBL1446892 0.80 COMT (0.55) COMTTHRBEIF4EC1STTR
SCHEMBL4278129 0.80 EIF4E (0.39) EIF4E
SCHEMBL3589493 0.80 EIF4E (0.40) COMTTHRBEIF4EC1STTR

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 7 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
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 COMT 10/4885THRB 3587/4885EIF4E 4154/4885
US-20140024682-A1 PHARMACEUTICAL COMPOUNDS PMP22, CNR2, OPRL1 COMT 10/4885THRB 3587/4885EIF4E 4154/4885

“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.