SCHEMBL4873408

SCHEMBL4873408

O=[N+]([O-])c1ccc(C2=NSC(c3c(Cl)cccc3Cl)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.44
MAPT P10636 6/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPK1 P28482 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
BCHE P06276 2/20 0.43
APP P05067 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
TLR9 Q9NR96 2/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL4871926 0.80 MAPT (0.46) PKMMAPTMEN1KMT2AKDM4E
SCHEMBL4872788 0.74 MAPT (0.46) PKMMAPTMEN1KMT2AKDM4E
SCHEMBL4863489 0.74 MAPT (0.44) PKMMAPTMEN1KMT2AKDM4E
SCHEMBL4874591 0.72 MEN1 (0.42) PKMMAPTMEN1KMT2AKDM4E
SCHEMBL4872781 0.69 APP (0.39) PKMMAPTMEN1KMT2AKDM4E
SCHEMBL4870889 0.67 GRIN2B (0.39) PKMMAPTMEN1KMT2AL3MBTL1
SCHEMBL4875015 0.67 MAOB (0.39) PKMMAPTMEN1KMT2AMAPK1
SCHEMBL4862090 0.66 MAPT (0.37) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL4869126 0.65 APP (0.36) PKMMAPTMEN1KMT2AKDM4E
SCHEMBL4873946 0.64 APP (0.45) PKMMAPTMEN1KMT2AAPP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7326790-B2 Diphenylisoxazole compounds and hydro isomers thereof RIGEL PHARMACEUTICALS, INC. (US) 2008-02-05 US disclosed
US-20040254227-A1 Heterocyclic compounds and hydro isomers thereof MIDCAP FINANCIAL TRUST 2004-12-16 US 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 (1 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-20040254227-A1 Heterocyclic compounds and hydro isomers thereof HAVCR2, PCNA, HCCS PKM 2607/4885MAPT 4266/4885MEN1 4165/4885

“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.