SCHEMBL4485666

SCHEMBL4485666

CC(=O)N(CCCN(C)C)c1ccc(NC(=C2C(=O)Nc3cc(Cl)ccc32)c2ccc(CC(=O)O)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
MAPT P10636 1/20 0.35
PLK1 P53350 5/20 0.34
CPT1A P50416 3/20 0.33
CPT1B Q92523 3/20 0.33
LRRK2 Q5S007 1/20 0.33
PLK3 Q9H4B4 4/20 0.32
PDGFRB P09619 3/20 0.32
KIT P10721 3/20 0.32
FGFR1 P11362 3/20 0.32
KDR P35968 3/20 0.32
FLT3 P36888 3/20 0.32
CYP26A1 O43174 1/20 0.32
CYP26B1 Q9NR63 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
CSF1R P07333 1/20 0.32
LTA4H P09960 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
AHR P35869 1/20 0.31

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
SCHEMBL4485660 1.00 KDM4E (0.35) KDM4EMAPTPLK1CPT1ACPT1B
SCHEMBL4504799 0.95 KDM4E (0.36) KDM4EMAPTPLK1CPT1ACPT1B
SCHEMBL4504795 0.95 KDM4E (0.36) KDM4EMAPTPLK1CPT1ACPT1B
SCHEMBL225448 0.93 LRRK2 (0.36) KDM4EMAPTPLK1LRRK2PLK3
SCHEMBL225449 0.93 LRRK2 (0.36) KDM4EMAPTPLK1LRRK2PLK3
SCHEMBL223873 0.92 PLK1 (0.36) PLK1LRRK2PLK3PDGFRBKIT
SCHEMBL223874 0.92 PLK1 (0.36) PLK1LRRK2PLK3PDGFRBKIT
SCHEMBL4487679 0.92 PLK1 (0.37) KDM4EPLK1LRRK2PLK3PDGFRB
SCHEMBL4487674 0.92 PLK1 (0.37) KDM4EPLK1LRRK2PLK3PDGFRB
SCHEMBL4492148 0.92 KDM4E (0.34) KDM4EMAPTCPT1ACPT1BLRRK2

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 KDM4E 1648/4885MAPT 545/4885PLK1 86/4885

“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.