SCHEMBL3586259

SCHEMBL3586259

CCOC(=O)c1c(-c2cc(O)c(O)c([N+](=O)[O-])c2)coc1-c1c(Cl)cncc1Cl

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
COMT P21964 1/20 0.36
ALOX5 P09917 3/20 0.35
TTR P02766 1/20 0.34
AR P10275 1/20 0.34
ESR1 P03372 1/20 0.34
DUSP3 P51452 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL1446980 0.88 MAPT (0.39) MAPTCOMTALOX5TTRAR
SCHEMBL27743678 0.86 DUSP3 (0.41) MAPTCOMTTTRDUSP3MAOA
SCHEMBL3588241 0.85 MAPT (0.40) MAPTCOMTTTRARESR1
SCHEMBL3577187 0.83 COMT (0.42) MAPTCOMTTTRARMAOA
SCHEMBL1447027 0.82 COMT (0.42) MAPTCOMTALOX5TTRAR
SCHEMBL3592544 0.82 MAPT (0.39) MAPTCOMTALOX5ARMAOA
SCHEMBL3588701 0.81 MAPT (0.37) MAPTCOMTAR
SCHEMBL1447471 0.81 COMT (0.49) MAPTCOMTALOX5TTRAR
SCHEMBL3587861 0.80 MAPT (0.38) MAPTALOX5TTRARMAOA
SCHEMBL1446949 0.80 COMT (0.40) MAPTCOMTALOX5TTRAR

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 MAPT 310/4885COMT 10/4885ALOX5 638/4885
US-20140024682-A1 PHARMACEUTICAL COMPOUNDS PMP22, CNR2, OPRL1 MAPT 310/4885COMT 10/4885ALOX5 638/4885

“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.