SCHEMBL4488044

SCHEMBL4488044

CCS(=O)(=O)N(CCN(C)C)c1ccc(N/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2ccccc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.34
PLK1 P53350 2/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
ALDH1A1 P00352 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MAPT P10636 4/20 0.32
TP53 P04637 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GPR27 Q9NS67 1/20 0.32
KDM4E B2RXH2 2/20 0.32
POLB P06746 1/20 0.32
LRRK2 Q5S007 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
LMNA P02545 3/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
UTS2R Q9UKP6 1/20 0.32
GAA P10253 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
SCHEMBL4488048 1.00 CES1 (0.34) CES1PLK1MEN1KMT2AALDH1A1
SCHEMBL4495343 0.96 NPSR1 (0.33) CES1PLK1MEN1KMT2AALDH1A1
SCHEMBL4495336 0.96 NPSR1 (0.33) CES1PLK1MEN1KMT2AALDH1A1
SCHEMBL4484556 0.94 PLK1 (0.33) CES1PLK1MEN1KMT2AALDH1A1
SCHEMBL4484551 0.94 PLK1 (0.33) CES1PLK1MEN1KMT2AALDH1A1
SCHEMBL4502856 0.93 RORC (0.37) CES1PLK1MEN1KMT2AALDH1A1
SCHEMBL4502853 0.93 RORC (0.37) CES1PLK1MEN1KMT2AALDH1A1
SCHEMBL4494272 0.92 GAA (0.38) CES1PLK1MEN1KMT2AALDH1A1
SCHEMBL4494278 0.92 GAA (0.38) CES1PLK1MEN1KMT2AALDH1A1
SCHEMBL4490965 0.90 GPR27 (0.33) CES1PLK1MEN1KMT2AALDH1A1

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 2176/4885PLK1 86/4885MEN1 1288/4885

“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.