SCHEMBL3583850

SCHEMBL3583850

O=[N+]([O-])c1cc(-c2nnc(-c3ccnc(F)c3)o2)cc(O)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
MAPT P10636 6/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
KDM4E B2RXH2 4/20 0.43
THRB P10828 3/20 0.43
RECQL P46063 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
POLB P06746 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
IDO1 P14902 2/20 0.43
TDO2 P48775 2/20 0.43
LMNA P02545 2/20 0.43
BLM P54132 2/20 0.43
PKM P14618 1/20 0.43
CASP6 P55212 1/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
CRHBP P24387 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
SCHEMBL3584646 0.83 MAPT (0.50) MAPTPOLBRAB9ANPC1GAA
SCHEMBL3582576 0.83 COMT (0.51) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL3588124 0.82 KDM4E (0.40) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL3586811 0.81 MEN1 (0.46) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL3588553 0.79 MEN1 (0.42) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL3580366 0.79 RAB9A (0.41) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL1447194 0.79 THRB (0.41) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL3580506 0.78 KDM4E (0.41) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL3591450 0.78 KDM4E (0.43) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL3585347 0.77 KDM4E (0.40) ALDH1A1MAPTMEN1KMT2AKDM4E

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 ALDH1A1 1070/4885MAPT 310/4885MEN1 3595/4885
US-20140024682-A1 PHARMACEUTICAL COMPOUNDS PMP22, CNR2, OPRL1 ALDH1A1 1070/4885MAPT 310/4885MEN1 3595/4885

“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.