SCHEMBL3583897

SCHEMBL3583897

O=[N+]([O-])c1cc(-c2nnc(-c3cccnc3C(F)(F)F)o2)cc(O)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 4/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
POLB P06746 3/20 0.41
LMNA P02545 3/20 0.41
IDO1 P14902 2/20 0.41
TDO2 P48775 2/20 0.41
PKM P14618 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
THRB P10828 2/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
CASP6 P55212 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL3586811 0.86 MEN1 (0.46) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL3585954 0.84 COMT (0.48) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL3582958 0.84 MAPK1 (0.43) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL3584042 0.83 DHODH (0.40) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL3591823 0.83 CRHBP (0.47) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL1447237 0.81 ALDH1A1 (0.52) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL3576357 0.80 MAPT (0.41) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL3583261 0.80 KDM4E (0.40) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL3584715 0.80 MEN1 (0.40) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL3586037 0.80 MAPT (0.40) MEN1KMT2AKDM4EALDH1A1MAPT

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 9 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
EP-2027091-B1 NEW PHARMACEUTICAL COMPOUNDS BIAL PORTELA & CA SA (PT) 2016-01-06 EP 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 MEN1 3595/4885KMT2A 3356/4885KDM4E 3648/4885
US-20140024682-A1 PHARMACEUTICAL COMPOUNDS PMP22, CNR2, OPRL1 MEN1 3595/4885KMT2A 3356/4885KDM4E 3648/4885

“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.