SCHEMBL4493906

SCHEMBL4493906

CC(C)(C)OC(=O)NCCCNCc1ccc(N/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 1/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
CSNK2A1 P68400 2/20 0.37
NAMPT P43490 2/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
BCHE P06276 3/20 0.35
ACHE P22303 3/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
SLC2A1 P11166 1/20 0.35
POLB P06746 1/20 0.35
FPR3 P25089 1/20 0.35
FPR2 P25090 1/20 0.35
LTA4H P09960 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
SCHEMBL4487854 0.95 PDCD1 (0.43) PDCD1CD274NAMPTHDAC1SLC2A1
SCHEMBL4499192 0.91 NAMPT (0.44) NAMPTHDAC1HDAC6NPSR1FPR3
SCHEMBL479835 0.90 PDCD1 (0.38) MARS1PDCD1CD274CSNK2A1NAMPT
SCHEMBL4488157 0.89 MARS1 (0.41) MARS1PDCD1CD274CSNK2A1BCHE
SCHEMBL4486527 0.88 SLC2A1 (0.34) PDCD1CD274KMT2ANPSR1MEN1
SCHEMBL479462 0.88 MAPT (0.43) PDCD1CD274NAMPTHDAC1KMT2A
SCHEMBL4493172 0.86 S1PR1 (0.37) KMT2AMEN1KDM4EMAPTTDP1
SCHEMBL3156622 0.85 HDAC1 (0.37) MARS1PDCD1CD274NAMPTHDAC1
SCHEMBL479895 0.85 PDCD1 (0.42) PDCD1CD274NAMPTHDAC1LMNA
SCHEMBL4496959 0.84 CD274 (0.41) PDCD1CD274SLC2A1POLB

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 MARS1 1925/4885PDCD1 710/4885CD274 880/4885

“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.