SCHEMBL4490963

SCHEMBL4490963

CC(C)S(=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 17)

geneUniProtsupporting neighboursconfidence
GPR27 Q9NS67 1/20 0.33
CES1 P23141 1/20 0.33
UTS2R Q9UKP6 3/20 0.33
ALDH1A1 P00352 3/20 0.33
PLK1 P53350 2/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SLC6A9 P48067 1/20 0.32
CASP3 P42574 1/20 0.32
TP53 P04637 2/20 0.31
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LRRK2 Q5S007 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL4490965 1.00 GPR27 (0.33) GPR27CES1UTS2RALDH1A1PLK1
SCHEMBL4494278 0.91 GAA (0.38) GPR27CES1ALDH1A1PLK1MEN1
SCHEMBL4494272 0.91 GAA (0.38) GPR27CES1ALDH1A1PLK1MEN1
SCHEMBL4486037 0.90 BACE1 (0.36) ALDH1A1MEN1KMT2ACASP3TP53
SCHEMBL4486035 0.90 BACE1 (0.36) ALDH1A1MEN1KMT2ACASP3TP53
SCHEMBL4488048 0.90 CES1 (0.34) GPR27CES1UTS2RALDH1A1PLK1
SCHEMBL4488044 0.90 CES1 (0.34) GPR27CES1UTS2RALDH1A1PLK1
SCHEMBL6318984 0.90 MEN1 (0.34) ALDH1A1MEN1KMT2ANPSR1MAPT
SCHEMBL6318980 0.90 MEN1 (0.34) ALDH1A1MEN1KMT2ANPSR1MAPT
SCHEMBL4502856 0.89 RORC (0.37) CES1ALDH1A1PLK1MEN1KMT2A

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 GPR27 876/4885CES1 2176/4885UTS2R 235/4885

“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.