SCHEMBL6325589

SCHEMBL6325589

CC(=O)N1C(=O)C(=C(Cl)c2ccc([N+](=O)[O-])cc2)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.44
CASP3 P42574 2/20 0.44
CASP4 P49662 2/20 0.44
CASP7 P55210 2/20 0.44
CASP9 P55211 2/20 0.44
CASP6 P55212 2/20 0.44
SNCA P37840 3/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
HPGD P15428 1/20 0.40
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
RECQL P46063 1/20 0.39
CASP8 Q14790 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
CES1 P23141 1/20 0.38

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
SCHEMBL6325583 1.00 CASP1 (0.44) CASP1CASP3CASP4CASP7CASP9
SCHEMBL6328682 0.94 ALDH1A1 (0.44) CASP1CASP3CASP4CASP7CASP9
SCHEMBL6321810 0.94 ALDH1A1 (0.43) CASP1CASP3CASP4CASP7CASP9
SCHEMBL6321814 0.94 ALDH1A1 (0.43) CASP1CASP3CASP4CASP7CASP9
SCHEMBL6328679 0.94 ALDH1A1 (0.44) CASP1CASP3CASP4CASP7CASP9
SCHEMBL8017167 0.93 ALDH1A1 (0.43) CASP1CASP3CASP4CASP7CASP9
SCHEMBL8017165 0.93 ALDH1A1 (0.43) CASP1CASP3CASP4CASP7CASP9
SCHEMBL6327330 0.91 SNCA (0.52) SNCAKDM4EMAPTALDH1A1MAPK1
SCHEMBL6327328 0.91 SNCA (0.52) SNCAKDM4EMAPTALDH1A1MAPK1
SCHEMBL6327806 0.88 CES1 (0.48) CASP1SNCAMAPTALDH1A1MAPK1

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-6855710-B2 Substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-02-15 US disclosed
US-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-03-25 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-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs CDK1, CDK2, CDK3 CASP1 1570/4885CASP3 1939/4885CASP4 2741/4885

“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.