SCHEMBL4153462

SCHEMBL4153462

COc1ccc2[nH]cc(CC(=O)Nc3ncc([N+](=O)[O-])s3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.56
MAPT P10636 5/20 0.56
ALDH1A1 P00352 4/20 0.56
CASP7 P55210 2/20 0.56
CASP6 P55212 2/20 0.56
CTDSP1 Q9GZU7 1/20 0.56
ATG4B Q9Y4P1 2/20 0.55
RPS6KB1 P23443 1/20 0.55
CDK2 P24941 1/20 0.55
GSK3A P49840 1/20 0.55
GSK3B P49841 1/20 0.55
CDK5 Q00535 1/20 0.55
AURKB Q96GD4 1/20 0.55
MTNR1A P48039 2/20 0.52
MTNR1B P49286 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52

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
SCHEMBL4148082 0.83 MAPT (0.70) LMNAMAPTALDH1A1CASP7CASP6
SCHEMBL5835722 0.83 MTNR1A (0.54) LMNAMAPTALDH1A1CDK2CDK5
SCHEMBL1395185 0.77 ATG4B (0.74) LMNAMAPTALDH1A1CASP7CASP6
SCHEMBL15727740 0.76 GLS (0.66) LMNAMTNR1AMTNR1BKDM4E
SCHEMBL13774680 0.74 KMT2A (0.65) LMNAMAPTALDH1A1CASP7CASP6
SCHEMBL8252641 0.74 KDM4E (0.73) ALDH1A1MTNR1AMTNR1BKDM4EMEN1
SCHEMBL5239218 0.74 KDM4E (0.73) ALDH1A1MTNR1AMTNR1BKDM4EMEN1
SCHEMBL21443481 0.73 GLS (0.61) LMNAMTNR1AMTNR1BKDM4E
SCHEMBL15742597 0.73 GLS (0.61) LMNAALDH1A1MTNR1AMTNR1BKDM4E
SCHEMBL13774678 0.73 PLCG2 (0.59) MAPTALDH1A1ATG4BRPS6KB1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192204-A1 N-(2-THIAZOLYL)-AMIDE DERIVATIVES AS GSK-3 INHIBITORS NOSCIRA, S.A. (ES) 2009-07-30 US disclosed
US-20090192204-A1 N-(2-THIAZOLYL)-AMIDE DERIVATIVES AS GSK-3 INHIBITORS NOSCIRA, S.A. (ES) 2009-07-30 US disclosed
US-20090192204-A1 N-(2-THIAZOLYL)-AMIDE DERIVATIVES AS GSK-3 INHIBITORS NOSCIRA, S.A. (ES) 2009-07-30 US disclosed
EP-2019828-A1 N- (2-THIAZOLYL) -AMIDE DERIVATIVES AS GSK-3 INHIBITORS Noscira, S.A. (ES) 2009-02-04 EP disclosed
WO-2007125109-A1 N- (2-THIAZOLYL) -AMIDE DERIVATIVES AS GSK-3 INHIBITORS NOSCIRA, S.A. (ES) 2007-11-08 WO disclosed
WO-2007125109-A1 N- (2-THIAZOLYL) -AMIDE DERIVATIVES AS GSK-3 INHIBITORS NOSCIRA, S.A. (ES) 2007-11-08 WO disclosed
EP-1849785-A1 N-(2-Thiazolyl)-amide derivatives as GSK-3 inhibitors Neuropharma, S.A. (ES) 2007-10-31 EP disclosed
EP-1849785-A1 N-(2-Thiazolyl)-amide derivatives as GSK-3 inhibitors Neuropharma, S.A. (ES) 2007-10-31 EP 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-20090192204-A1 N-(2-THIAZOLYL)-AMIDE DERIVATIVES AS GSK-3 INHIBITORS GSK3B, GSK3A, GSKIP LMNA 1384/4885MAPT 10/4885ALDH1A1 3796/4885

“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.