SCHEMBL4496034

SCHEMBL4496034

NC(CCO)(CCO)c1ccc(NC(=C2C(=O)Nc3cc(Cl)ccc32)c2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
KDR P35968 4/20 0.33
CASP3 P42574 2/20 0.33
FLT3 P36888 2/20 0.33
TGM2 P21980 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
KIT P10721 1/20 0.33
FLT4 P35916 1/20 0.33
BACE1 P56817 1/20 0.33
LRRK2 Q5S007 3/20 0.33
AURKB Q96GD4 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
CHEK1 O14757 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
SCHEMBL4496024 1.00 CES1 (0.35) CES1RXFP1KDRCASP3FLT3
SCHEMBL4477736 0.92 CES1 (0.34) CES1RXFP1KDRCASP3FLT3
SCHEMBL4494325 0.90 CES1 (0.36) CES1RXFP1KDRCASP3FLT3
SCHEMBL4480697 0.89 RXFP1 (0.35) CES1RXFP1CASP3FLT3CA12
SCHEMBL4480689 0.89 RXFP1 (0.35) CES1RXFP1CASP3FLT3CA12
SCHEMBL2567153 0.89 BACE1 (0.39) RXFP1CASP3FLT3CA12CA2
SCHEMBL4489326 0.89 TGM2 (0.35) CES1RXFP1KDRCASP3FLT3
SCHEMBL2567164 0.89 BACE1 (0.39) RXFP1CASP3FLT3CA12CA2
SCHEMBL4494396 0.89 BACE1 (0.41) RXFP1KDRCASP3FLT3TGM2
SCHEMBL4494407 0.89 BACE1 (0.41) RXFP1KDRCASP3FLT3TGM2

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 CES1 2176/4885RXFP1 425/4885KDR 1/4885

“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.