SCHEMBL4500246

SCHEMBL4500246

O=C1Nc2cc(Cl)ccc2C1=C(Nc1ccc(Br)cc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.43
RXFP1 Q9HBX9 1/20 0.41
GRIK1 P39086 1/20 0.39
TGM2 P21980 1/20 0.39
KDR P35968 4/20 0.39
CHEK1 O14757 1/20 0.39
KIT P10721 1/20 0.39
FLT4 P35916 1/20 0.39
FLT3 P36888 1/20 0.39
BACE1 P56817 1/20 0.38
LRRK2 Q5S007 2/20 0.38
TP53 P04637 1/20 0.38
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CCNB1 P14635 1/20 0.38
CCR6 P51684 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL4500243 1.00 CES1 (0.43) CES1RXFP1GRIK1TGM2KDR
SCHEMBL4507715 0.94 CES1 (0.46) CES1RXFP1TGM2KDRCHEK1
SCHEMBL4507721 0.94 CES1 (0.46) CES1RXFP1TGM2KDRCHEK1
SCHEMBL4496719 0.93 CES1 (0.47) CES1RXFP1TGM2KDRCHEK1
SCHEMBL4496723 0.93 CES1 (0.47) CES1RXFP1TGM2KDRCHEK1
SCHEMBL4482182 0.90 BACE1 (0.50) CES1RXFP1GRIK1TGM2KDR
SCHEMBL4493857 0.90 PLK1 (0.46) CES1RXFP1TGM2KDRKIT
SCHEMBL4478326 0.90 CES1 (0.42) CES1RXFP1GRIK1TGM2KDR
SCHEMBL4482176 0.90 BACE1 (0.50) CES1RXFP1GRIK1TGM2KDR
SCHEMBL4478322 0.90 CES1 (0.42) CES1RXFP1GRIK1TGM2KDR

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 425/4885GRIK1 1000/4885

“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.