SCHEMBL4476550

SCHEMBL4476550

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.38
CASP2 P42575 1/20 0.38
CASP7 P55210 1/20 0.38
CASP6 P55212 1/20 0.38
CASP8 Q14790 1/20 0.38
MAPT P10636 7/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
MCL1 Q07820 1/20 0.36
KMT2A Q03164 5/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 4/20 0.36
MEN1 O00255 4/20 0.36
GAA P10253 3/20 0.36
GFER P55789 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL4476553 1.00 CASP3 (0.38) CASP3CASP2CASP7CASP6CASP8
SCHEMBL227305 0.92 KDR (0.37) MAPTNPC1KMT2AL3MBTL1ALDH1A1
SCHEMBL227306 0.92 KDR (0.37) MAPTNPC1KMT2AL3MBTL1ALDH1A1
SCHEMBL3934845 0.90 MAPT (0.39) MAPTSMN1; SMN2KMT2AL3MBTL1MAPK1
SCHEMBL4495826 0.90 MAPT (0.39) MAPTSMN1; SMN2KMT2AL3MBTL1MAPK1
SCHEMBL4506126 0.89 LRRK2 (0.43) MAPTSMN1; SMN2NPC1KMT2AALDH1A1
SCHEMBL4506123 0.89 LRRK2 (0.43) MAPTSMN1; SMN2NPC1KMT2AALDH1A1
SCHEMBL4500471 0.88 ALDH1A1 (0.37) MAPTRAB9ANPC1MCL1KMT2A
SCHEMBL4500472 0.88 ALDH1A1 (0.37) MAPTRAB9ANPC1MCL1KMT2A
SCHEMBL4502980 0.87 NPC1 (0.38) MAPTNPC1KMT2AL3MBTL1ALDH1A1

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.