SCHEMBL6327328

SCHEMBL6327328

COc1ccc(/C(Cl)=C2\C(=O)N(C(C)=O)c3ccc([N+](=O)[O-])cc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.52
MAPT P10636 4/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPK1 P28482 2/20 0.47
HTT P42858 2/20 0.47
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
PAX8 Q06710 1/20 0.45
SLC6A9 P48067 1/20 0.40
SLC6A5 Q9Y345 1/20 0.40
METTL16 Q86W50 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
GFER P55789 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL6327330 1.00 SNCA (0.52) SNCAMAPTLMNASMN1; SMN2MAPK1
SCHEMBL6325583 0.91 CASP1 (0.44) SNCAMAPTLMNAMAPK1KDM4E
SCHEMBL6325589 0.91 CASP1 (0.44) SNCAMAPTLMNAMAPK1KDM4E
SCHEMBL6327162 0.89 SNCA (0.49) SNCAMAPTLMNASMN1; SMN2HTT
SCHEMBL6327159 0.89 SNCA (0.49) SNCAMAPTLMNASMN1; SMN2HTT
SCHEMBL6328679 0.88 ALDH1A1 (0.44) SNCAMAPTLMNASMN1; SMN2MAPK1
SCHEMBL6321810 0.88 ALDH1A1 (0.43) SNCAMAPTLMNASMN1; SMN2HTT
SCHEMBL6328682 0.88 ALDH1A1 (0.44) SNCAMAPTLMNASMN1; SMN2MAPK1
SCHEMBL6321814 0.88 ALDH1A1 (0.43) SNCAMAPTLMNASMN1; SMN2HTT
SCHEMBL8017165 0.87 ALDH1A1 (0.43) SNCAMAPTLMNAKDM4EALDH1A1

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 4797/4885MAPT 3817/4885LMNA 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.