SCHEMBL6327159

SCHEMBL6327159

COc1cccc(/C(Cl)=C2\C(=O)N(C(C)=O)c3ccc([N+](=O)[O-])cc32)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.49
ALDH1A1 P00352 6/20 0.46
HTT P42858 1/20 0.46
WDR5 P61964 1/20 0.46
PKM P14618 1/20 0.44
ELANE P08246 2/20 0.43
MAPT P10636 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
AHR P35869 1/20 0.43
POLB P06746 1/20 0.42
TP53 P04637 1/20 0.42
LMNA P02545 2/20 0.41
MAOB P27338 1/20 0.41
SLC6A9 P48067 1/20 0.41
SLC6A5 Q9Y345 1/20 0.41
F2 P00734 1/20 0.41
PLAU P00749 1/20 0.41
CTRB1 P17538 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL6327162 1.00 SNCA (0.49) SNCAALDH1A1HTTWDR5PKM
SCHEMBL6327328 0.89 SNCA (0.52) SNCAALDH1A1HTTMAPTMEN1
SCHEMBL6327330 0.89 SNCA (0.52) SNCAALDH1A1HTTMAPTMEN1
SCHEMBL6326929 0.87 WDR5 (0.43) SNCAALDH1A1WDR5ELANEMAPT
SCHEMBL6327237 0.87 WDR5 (0.45) SNCAALDH1A1HTTWDR5MAPT
SCHEMBL6326931 0.87 WDR5 (0.43) SNCAALDH1A1WDR5ELANEMAPT
SCHEMBL6327239 0.87 WDR5 (0.45) SNCAALDH1A1HTTWDR5MAPT
SCHEMBL6325583 0.84 CASP1 (0.44) SNCAALDH1A1MAPTLMNA
SCHEMBL6325589 0.84 CASP1 (0.44) SNCAALDH1A1MAPTLMNA
SCHEMBL6322399 0.83 CES1 (0.47) ALDH1A1MAPTMEN1KMT2APOLB

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 5 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
EP-1115704-B1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA (DE) 2003-06-18 EP disclosed
EP-1115704-A1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES Boehringer Ingelheim Pharma KG (DE) 2001-07-18 EP disclosed
WO-2000018734-A1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-04-06 WO 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 SNCA 4797/4885ALDH1A1 1810/4885HTT 4696/4885

“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.