SCHEMBL4500430

SCHEMBL4500430

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.36
CES1 P23141 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
LRRK2 Q5S007 2/20 0.35
KDR P35968 5/20 0.34
FLT3 P36888 3/20 0.34
FLT4 P35916 2/20 0.34
KDM4E B2RXH2 1/20 0.34
APAF1 O14727 1/20 0.34
MITF O75030 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TGM2 P21980 1/20 0.34
KIT P10721 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL4487044 0.91 CES1 (0.39) CASP3CES1RXFP1LRRK2KDR
SCHEMBL4494325 0.87 CES1 (0.36) CASP3CES1RXFP1LRRK2KDR
SCHEMBL479530 0.86 KMT2A (0.40) CASP3RXFP1POLBMAPTMAPK1
SCHEMBL2122332 0.86 KMT2A (0.40) CASP3RXFP1POLBMAPTMAPK1
SCHEMBL4480926 0.86 RXFP1 (0.37) CASP3CES1RXFP1LRRK2KDR
SCHEMBL4507715 0.85 CES1 (0.46) CASP3CES1RXFP1LRRK2KDR
SCHEMBL4507721 0.85 CES1 (0.46) CASP3CES1RXFP1LRRK2KDR
SCHEMBL4492642 0.85 NPC1 (0.45) CES1RXFP1POLBHTTBACE1
SCHEMBL4492645 0.85 NPC1 (0.45) CES1RXFP1POLBHTTBACE1
SCHEMBL4477736 0.85 CES1 (0.34) CASP3CES1RXFP1LRRK2KDR

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 4 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
EP-1527046-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-05-04 EP disclosed
WO-2004009546-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-01-29 WO 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 CASP3 1148/4885CES1 2176/4885RXFP1 425/4885

“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.