SCHEMBL4499806

SCHEMBL4499806

CC(C)N(C)Cc1ccc(NC(=C2C(=O)Nc3cc(Cl)ccc32)c2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
CASP3 P42574 1/20 0.35
LSS P48449 1/20 0.35
NPY5R Q15761 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
POLB P06746 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
LRRK2 Q5S007 1/20 0.34
F10 P00742 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 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
SCHEMBL4499799 1.00 CES1 (0.37) CES1TMEM97SIGMAR1CASP3LSS
SCHEMBL4500437 0.92 CES1 (0.38) CES1TMEM97SIGMAR1CASP3RXFP1
SCHEMBL4500433 0.92 CES1 (0.38) CES1TMEM97SIGMAR1CASP3RXFP1
SCHEMBL4487046 0.91 LSS (0.44) CES1TMEM97SIGMAR1LSSRXFP1
SCHEMBL4487048 0.91 LSS (0.44) CES1TMEM97SIGMAR1LSSRXFP1
SCHEMBL4493665 0.90 TMEM97 (0.45) TMEM97SIGMAR1KDM4E
SCHEMBL4493668 0.90 TMEM97 (0.45) TMEM97SIGMAR1KDM4E
SCHEMBL4500376 0.89 CES1 (0.36) CES1TMEM97SIGMAR1CASP3RXFP1
SCHEMBL4500379 0.89 CES1 (0.36) CES1TMEM97SIGMAR1CASP3RXFP1
SCHEMBL4489328 0.88 CES1 (0.38) CES1TMEM97SIGMAR1RXFP1POLB

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 2176/4885TMEM97 2293/4885SIGMAR1 916/4885

“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.