SCHEMBL3581979

SCHEMBL3581979

O=[N+]([O-])c1cc(-c2nnc(-c3cnccc3C(F)(F)F)o2)cc(O)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.38
FTO Q9C0B1 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAPT P10636 3/20 0.36
COMT P21964 3/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 3/20 0.35
POLB P06746 2/20 0.35
CYP1A2 P05177 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HSP90AA1 P07900 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CASP3 P42574 1/20 0.35
SENP7 Q9BQF6 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
SCHEMBL3592554 0.84 RAB9A (0.47) TTRNPC1RAB9AMAPTCOMT
SCHEMBL3596793 0.84 COMT (0.47) NPC1RAB9AMAPTCOMTPOLB
SCHEMBL3581247 0.83 COMT (0.38) TTRNPC1RAB9AMAPTCOMT
SCHEMBL3580050 0.83 DHODH (0.37) TTRFTORAB9AMAPTCOMT
SCHEMBL1446742 0.82 COMT (0.37) TTRNPC1RAB9AMAPTCOMT
SCHEMBL3581623 0.81 CRHBP (0.45) TTRFTOMAPTCRHBPCRHR2
SCHEMBL3586827 0.80 CYP1A2 (0.39) TTRFTONPC1RAB9AMAPT
SCHEMBL3583683 0.80 TTR (0.39) TTRFTONPC1RAB9AMAPT
SCHEMBL1447332 0.80 HSD11B1 (0.41) TTRRAB9AMAPTALDH1A1KDM4E
SCHEMBL3583897 0.79 MEN1 (0.41) TTRFTONPC1RAB9AMAPT

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 TTR 2094/4885FTO 4045/4885NPC1 90/4885
US-20140024682-A1 PHARMACEUTICAL COMPOUNDS PMP22, CNR2, OPRL1 TTR 2094/4885FTO 4045/4885NPC1 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.