SCHEMBL4491553

SCHEMBL4491553

CC(=O)N(CCN(C)C)c1ccc(NC(=C2C(=O)Nc3cc(Cl)ccc32)c2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 1/20 0.37
LRRK2 Q5S007 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
UTS2R Q9UKP6 2/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
AHR P35869 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MCHR1 Q99705 2/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
PLK1 P53350 1/20 0.34
CYP19A1 P11511 1/20 0.33
SLC6A9 P48067 1/20 0.33
MAPT P10636 1/20 0.33
MCL1 Q07820 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TGM2 P21980 1/20 0.33
MAPK8 P45983 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
SCHEMBL4491548 1.00 LIMK1 (0.37) LIMK1LRRK2RXFP1UTS2RNPC1
SCHEMBL4485494 0.95 KDM4E (0.37) LIMK1LRRK2RXFP1UTS2RNPC1
SCHEMBL4485489 0.95 KDM4E (0.37) LIMK1LRRK2RXFP1UTS2RNPC1
SCHEMBL226588 0.95 LIMK1 (0.39) LIMK1LRRK2NPC1POLBAHR
SCHEMBL226587 0.95 LIMK1 (0.39) LIMK1LRRK2NPC1POLBAHR
SCHEMBL4491350 0.93 LIMK1 (0.37) LIMK1LRRK2RXFP1UTS2RKDM4E
SCHEMBL4492731 0.93 LRRK2 (0.42) LIMK1LRRK2RXFP1NPC1POLB
SCHEMBL4491348 0.93 LIMK1 (0.37) LIMK1LRRK2RXFP1UTS2RKDM4E
SCHEMBL4492738 0.93 LRRK2 (0.42) LIMK1LRRK2RXFP1NPC1POLB
SCHEMBL4483948 0.92 LIMK1 (0.36) LIMK1LRRK2NPC1POLBAHR

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 LIMK1 312/4885LRRK2 168/4885RXFP1 425/4885

“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.