SCHEMBL3584284

SCHEMBL3584284

O=[N+]([O-])c1cc(-c2nnn(-c3ccc(C(F)(F)F)nc3)n2)cc(O)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.39
GRM5 P41594 1/20 0.38
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
MAPT P10636 2/20 0.35
AR P10275 1/20 0.35
ABCG2 Q9UNQ0 6/20 0.35
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
ABCB1 P08183 2/20 0.34
PTGS2 P35354 1/20 0.34
PTGS1 P23219 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
GMNN O75496 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL3587919 0.82 TTR (0.42) TTRGRM5NPC1RAB9AMAPT
SCHEMBL1446572 0.81 TTR (0.38) TTRGRM5NPC1RAB9AMAPT
SCHEMBL3588388 0.81 TTR (0.46) TTRGRM5RAB9AMAPTABCG2
SCHEMBL1447582 0.78 TTR (0.40) TTRGRM5MAPTABCG2CRHBP
SCHEMBL3584380 0.78 TTR (0.38) TTRGRM5NPC1RAB9AMAPT
SCHEMBL3591939 0.78 MAPT (0.39) TTRGRM5NPC1RAB9AMAPT
SCHEMBL1448385 0.77 GRM5 (0.35) TTRGRM5RAB9AMAPTABCG2
SCHEMBL3580174 0.76 TTR (0.38) TTRMAPTCRHBPCRHR2PTGS2
SCHEMBL3576463 0.76 TTR (0.38) TTRMAPTCRHBPCRHR2PTGS2
SCHEMBL3587928 0.75 TTR (0.43) TTRNPC1RAB9AMAPTCRHBP

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 TTR 2094/4885GRM5 150/4885NPC1 90/4885
US-20140024682-A1 PHARMACEUTICAL COMPOUNDS PMP22, CNR2, OPRL1 TTR 2094/4885GRM5 150/4885NPC1 90/4885

“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.