SCHEMBL6327239

SCHEMBL6327239

CC(=O)N1C(=O)C(=C(Cl)c2cccc(Cl)c2)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.45
SNCA P37840 3/20 0.42
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 5/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 2/20 0.39
CASP3 P42574 2/20 0.39
CASP4 P49662 2/20 0.39
CASP7 P55210 2/20 0.39
CASP9 P55211 2/20 0.39
CASP6 P55212 2/20 0.39
SLC6A9 P48067 1/20 0.38
SLC6A5 Q9Y345 1/20 0.38
NR1H2 P55055 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
SCHEMBL6327237 1.00 WDR5 (0.45) WDR5SNCALMNASMN1; SMN2ALDH1A1
SCHEMBL6326929 0.90 WDR5 (0.43) WDR5SNCAALDH1A1TSHRKDM4E
SCHEMBL6326931 0.90 WDR5 (0.43) WDR5SNCAALDH1A1TSHRKDM4E
SCHEMBL6328682 0.88 ALDH1A1 (0.44) SNCALMNASMN1; SMN2ALDH1A1TDP1
SCHEMBL6328679 0.88 ALDH1A1 (0.44) SNCALMNASMN1; SMN2ALDH1A1TDP1
SCHEMBL6327162 0.87 SNCA (0.49) WDR5SNCALMNASMN1; SMN2ALDH1A1
SCHEMBL6327159 0.87 SNCA (0.49) WDR5SNCALMNASMN1; SMN2ALDH1A1
SCHEMBL6325589 0.87 CASP1 (0.44) SNCALMNAALDH1A1KDM4EMAPT
SCHEMBL6325583 0.87 CASP1 (0.44) SNCALMNAALDH1A1KDM4EMAPT
SCHEMBL6321810 0.84 ALDH1A1 (0.43) SNCALMNASMN1; SMN2ALDH1A1KDM4E

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 WDR5 2118/4885SNCA 4797/4885LMNA 2720/4885

“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.