SCHEMBL4211068

SCHEMBL4211068

[c]1nc(-c2ccc[nH]2)c(-c2ccco2)[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
POLB P06746 4/20 0.37
MAPT P10636 4/20 0.37
L3MBTL1 Q9Y468 4/20 0.37
KDM4E B2RXH2 4/20 0.37
TDP1 Q9NUW8 3/20 0.37
HSD17B10 Q99714 3/20 0.37
BLM P54132 3/20 0.37
HPGD P15428 3/20 0.37
PKM P14618 2/20 0.37
ALOX15 P16050 2/20 0.37
CASP1 P29466 2/20 0.37
PTPN7 P35236 2/20 0.37
RECQL P46063 2/20 0.37
CASP7 P55210 2/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
THRB P10828 1/20 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
SCHEMBL1529975 0.73 MEN1 (0.47) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL1903235 0.71 PDE10A (0.45) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL5076868 0.69 PDPK1 (0.36) ADORA2AADORA1RAB9APDPK1CDK5
SCHEMBL7107269 0.68 SMPD3 (0.39) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL19157648 0.64 ALDH1A1 (0.39) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL27786388 0.62 MEN1 (0.40) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL15011916 0.62 ALDH1A1 (0.34) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL17597540 0.60 CDK5 (0.33) CDK5CDK5R1
SCHEMBL9110854 0.58 ALDH1A1 (0.36) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL569380 0.57 PDPK1 (0.47) ALDH1A1MEN1KMT2APOLBMAPT

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-7495021-B2 Benzothiazole- and benzooxazole-4,7-dione, derivatives and their use as cdc25 phosphate inhibitors SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-02-24 US disclosed
US-20070293487-A1 BENZOTHIAZOLE- AND BENZOOXAZOLE-4,7-DIONE, DERIVATIVES AND THEIR USE AS CDC25 PHOSPHATE INHIBITORS SOCIET DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2007-12-20 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-20070293487-A1 BENZOTHIAZOLE- AND BENZOOXAZOLE-4,7-DIONE, DERIVATIVES AND THEIR USE AS CDC25 PHOSPHATE INHIBITORS CDC25C, CDC25A, CDC25B ALDH1A1 868/4885MEN1 3612/4885KMT2A 2533/4885

“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.