SCHEMBL4496959

SCHEMBL4496959

CC(=O)NCCNCc1ccc(N/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 9/20 0.41
PDCD1 Q15116 8/20 0.41
CNR1 P21554 1/20 0.41
VSIR Q9H7M9 2/20 0.39
PTPN1 P18031 1/20 0.38
LRRK2 Q5S007 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
POLB P06746 1/20 0.37
SLC2A1 P11166 1/20 0.37
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36
FLT3 P36888 1/20 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
SCHEMBL4488157 0.95 MARS1 (0.41) CD274PDCD1CNR1PTPN1LRRK2
SCHEMBL4505644 0.90 CNR1 (0.43) CNR1LRRK2NPC1RAB9A
SCHEMBL4505647 0.90 CNR1 (0.43) CNR1LRRK2NPC1RAB9A
SCHEMBL4487854 0.88 PDCD1 (0.43) CD274PDCD1NPC1RAB9APOLB
SCHEMBL479562 0.88 HIF1A (0.40) CD274PDCD1VSIRPTPN1NPC1
SCHEMBL479564 0.88 HIF1A (0.40) CD274PDCD1VSIRPTPN1NPC1
SCHEMBL4493365 0.88 CES1 (0.39) POLB
SCHEMBL4493369 0.88 CES1 (0.39) POLB
SCHEMBL4495110 0.87 HDAC1 (0.39) CNR1SLC2A1FLT4KDRFLT3
SCHEMBL4499898 0.87 PDCD1 (0.38) CD274PDCD1NPC1RAB9APOLB

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 4 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
EP-1527046-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-05-04 EP disclosed
WO-2004009546-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-01-29 WO 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 CD274 880/4885PDCD1 710/4885CNR1 487/4885

“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.