SCHEMBL4495113

SCHEMBL4495113

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.36
RXFP1 Q9HBX9 1/20 0.35
KDR P35968 4/20 0.34
TGM2 P21980 2/20 0.34
CASP3 P42574 1/20 0.34
KIT P10721 1/20 0.34
FLT4 P35916 1/20 0.34
FLT3 P36888 1/20 0.34
BACE1 P56817 1/20 0.33
LRRK2 Q5S007 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
CHEK1 O14757 1/20 0.33

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
SCHEMBL4491671 0.95 CES1 (0.34) CES1RXFP1KDRTGM2CASP3
SCHEMBL4492225 0.91 F11 (0.36) CES1RXFP1CASP3BACE1NPC1
SCHEMBL4480932 0.89 RXFP1 (0.36) CES1RXFP1KDRTGM2CASP3
SCHEMBL4496965 0.89 LRRK2 (0.37) RXFP1KDRTGM2CASP3KIT
SCHEMBL4499903 0.88 CES1 (0.33) CES1RXFP1KDRTGM2CASP3
SCHEMBL4488163 0.87 LRRK2 (0.36) RXFP1KDRTGM2KITFLT4
SCHEMBL4492820 0.86 PSEN1 (0.34) CES1RXFP1KDRCASP3FLT4
SCHEMBL4507715 0.85 CES1 (0.46) CES1RXFP1KDRTGM2CASP3
SCHEMBL4507721 0.85 CES1 (0.46) CES1RXFP1KDRTGM2CASP3
SCHEMBL4491983 0.85 RXFP1 (0.38) CES1RXFP1KDRTGM2CASP3

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.