SCHEMBL4492731

SCHEMBL4492731

CC(=O)Nc1ccc(/C(Nc2ccc(N(CCN(C)C)C(C)=O)cc2)=C2/C(=O)Nc3cc(Cl)ccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.42
LIMK1 P53667 1/20 0.37
HDAC1 Q13547 1/20 0.35
MAPT P10636 3/20 0.34
TP53 P04637 2/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
AHR P35869 1/20 0.34
HPGD P15428 2/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GAA P10253 1/20 0.33
JAK3 P52333 1/20 0.33

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
SCHEMBL4492738 1.00 LRRK2 (0.42) LRRK2LIMK1HDAC1MAPTTP53
SCHEMBL226588 0.96 LIMK1 (0.39) LRRK2LIMK1MAPTNPC1POLB
SCHEMBL226587 0.96 LIMK1 (0.39) LRRK2LIMK1MAPTNPC1POLB
SCHEMBL4483954 0.94 LIMK1 (0.36) LRRK2LIMK1MAPTNPC1POLB
SCHEMBL4483948 0.94 LIMK1 (0.36) LRRK2LIMK1MAPTNPC1POLB
SCHEMBL4491326 0.93 LIMK1 (0.37) LRRK2LIMK1HDAC1MAPTNPC1
SCHEMBL4491323 0.93 LIMK1 (0.37) LRRK2LIMK1HDAC1MAPTNPC1
SCHEMBL4491548 0.93 LIMK1 (0.37) LRRK2LIMK1MAPTNPC1POLB
SCHEMBL4491553 0.93 LIMK1 (0.37) LRRK2LIMK1MAPTNPC1POLB
SCHEMBL4486749 0.92 NPC1 (0.36) LRRK2LIMK1MAPTNPC1POLB

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 LRRK2 168/4885LIMK1 312/4885HDAC1 3369/4885

“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.