SCHEMBL3580199

SCHEMBL3580199

O=[N+]([O-])c1cc(-c2ccnc(-c3c(Cl)cncc3Cl)n2)cc(O)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.42
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
KDM4E B2RXH2 5/20 0.42
TDP1 Q9NUW8 4/20 0.42
PKM P14618 3/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TTR P02766 2/20 0.41
COMT P21964 2/20 0.40
ALDH1A1 P00352 4/20 0.39
HSP90AA1 P07900 1/20 0.39
OPRK1 P41145 1/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
FTO Q9C0B1 2/20 0.37
IDO1 P14902 2/20 0.37
TDO2 P48775 2/20 0.37

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
SCHEMBL1446963 0.87 COMT (0.43) MAPTMEN1KMT2AKDM4ETDP1
SCHEMBL3572788 0.81 COMT (0.42) MAPTMEN1KMT2AKDM4ETDP1
SCHEMBL3589608 0.81 COMT (0.44) MAPTMEN1KMT2AKDM4ETDP1
SCHEMBL3583474 0.80 COMT (0.48) MAPTMEN1KMT2AKDM4ETDP1
SCHEMBL3589186 0.79 COMT (0.61) MAPTMEN1KMT2AKDM4ETDP1
SCHEMBL3588381 0.78 TTR (0.45) MAPTMEN1KMT2AKDM4ETDP1
SCHEMBL1447067 0.78 COMT (0.51) MAPTMEN1KMT2AKDM4ETDP1
SCHEMBL1446931 0.78 COMT (0.60) MAPTMEN1KMT2AKDM4ETDP1
SCHEMBL1446834 0.77 COMT (0.70) MAPTMEN1KMT2AKDM4ETDP1
SCHEMBL3589493 0.77 EIF4E (0.40) MAPTMEN1KMT2AKDM4ETDP1

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 MAPT 310/4885MEN1 3595/4885KMT2A 3356/4885
US-20140024682-A1 PHARMACEUTICAL COMPOUNDS PMP22, CNR2, OPRL1 MAPT 310/4885MEN1 3595/4885KMT2A 3356/4885

“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.