SCHEMBL4486249

SCHEMBL4486249

CC(C)(N)c1ccc(N/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.42
CASP2 P42575 1/20 0.42
CASP7 P55210 1/20 0.42
CASP6 P55212 1/20 0.42
CASP8 Q14790 1/20 0.42
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
PSMB5 P28074 1/20 0.39
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
MDM2 Q00987 2/20 0.38
MEN1 O00255 5/20 0.38
MAPT P10636 5/20 0.38
KMT2A Q03164 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 2/20 0.38
MMP13 P45452 1/20 0.37
GSK3B P49841 2/20 0.36

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
SCHEMBL227368 0.90 NPC1 (0.42) CA1CA2CA12CA9MDM2
SCHEMBL4501266 0.87 CA1 (0.37) CA1CA2CA4CA7CA12
SCHEMBL4482721 0.87 MEN1 (0.45) CASP3CASP2CASP7CASP6CASP8
SCHEMBL4482735 0.87 MEN1 (0.45) CASP3CASP2CASP7CASP6CASP8
SCHEMBL4476546 0.87 CASP3 (0.37) CASP3CASP2CASP7CASP6CASP8
SCHEMBL4487044 0.86 CES1 (0.39) CASP3CA1CA2CA12CA9
SCHEMBL4496688 0.85 KMT2A (0.38) CA1CA2CA12CA9MDM2
SCHEMBL4486258 0.84 ALDH1A1 (0.41) CASP3CASP2CASP7CASP6CASP8
SCHEMBL4486253 0.84 ALDH1A1 (0.41) CASP3CASP2CASP7CASP6CASP8
SCHEMBL226771 0.84 TMPRSS4 (0.40) CA1CA2CA12CA9MDM2

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-7514468-B2 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-07 US disclosed
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-08-31 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-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR CASP3 1148/4885CASP2 2470/4885CASP7 1237/4885

“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.