SCHEMBL3585312

SCHEMBL3585312

O=[N+]([O-])c1cc(-c2ccnc(-c3ccc(C(F)(F)F)nc3)n2)cc(O)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.41
TRPV3 Q8NET8 2/20 0.41
COMT P21964 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
PKM P14618 1/20 0.38
IDO1 P14902 1/20 0.38
RECQL P46063 1/20 0.38
TDO2 P48775 1/20 0.38
BLM P54132 1/20 0.38
CASP6 P55212 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA12 O43570 2/20 0.38

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
SCHEMBL3587928 0.87 TTR (0.43) TTRCOMTMEN1KMT2AMAPT
SCHEMBL3588539 0.86 TTR (0.41) TTRCOMTMEN1KMT2ACA12
SCHEMBL3588381 0.83 TTR (0.45) TTRCOMTMEN1KMT2AMAPT
SCHEMBL3587064 0.82 TTR (0.39) TTRCOMTMEN1KMT2AMAPT
SCHEMBL3587756 0.82 COMT (0.49) TTRCOMTMAPTPOLBNPC1
SCHEMBL1447070 0.81 TTR (0.39) TTRCOMTMEN1KMT2AMAPT
SCHEMBL3594871 0.81 EIF4E (0.46) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL3587929 0.81 TTR (0.38) TTRCOMTMEN1KMT2AMAPT
SCHEMBL3591192 0.80 TTR (0.39) TTRCOMTMEN1KMT2AMAPT
SCHEMBL3590761 0.80 CRHBP (0.49) TTRMAPTCRHBPCRHR2

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 2094/4885TRPV3 100/4885COMT 10/4885
US-20140024682-A1 PHARMACEUTICAL COMPOUNDS PMP22, CNR2, OPRL1 TTR 2094/4885TRPV3 100/4885COMT 10/4885

“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.