SCHEMBL4492818

SCHEMBL4492818

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 3/20 0.37
CD274 Q9NZQ7 3/20 0.37
SLC2A1 P11166 2/20 0.36
MARS1 P56192 1/20 0.35
CSNK2A1 P68400 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34
FLT3 P36888 1/20 0.34
GSK3B P49841 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
CES1 P23141 1/20 0.33
LTA4H P09960 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL4499898 0.95 PDCD1 (0.38) PDCD1CD274SLC2A1FLT4KDR
SCHEMBL480576 0.88 HIF1A (0.38) PDCD1CD274KMT2ALMNALTA4H
SCHEMBL4488157 0.87 MARS1 (0.41) PDCD1CD274SLC2A1MARS1CSNK2A1
SCHEMBL4491667 0.87 PLK1 (0.37) SLC2A1MARS1CSNK2A1FLT4KDR
SCHEMBL4495110 0.87 HDAC1 (0.39) SLC2A1CSNK2A1FLT4KDRFLT3
SCHEMBL480487 0.86 MAPT (0.43) PDCD1CD274KMT2AMEN1LTA4H
SCHEMBL4493365 0.86 CES1 (0.39) KMT2AMEN1NPSR1CES1KDM4E
SCHEMBL4493369 0.86 CES1 (0.39) KMT2AMEN1NPSR1CES1KDM4E
SCHEMBL4500513 0.85 TMEM97 (0.41) GSK3BKMT2ACES1LTA4H
SCHEMBL4500511 0.85 TMEM97 (0.41) GSK3BKMT2ACES1LTA4H

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 PDCD1 710/4885CD274 880/4885SLC2A1 1505/4885

“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.