SCHEMBL4491983

SCHEMBL4491983

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.38
LRRK2 Q5S007 2/20 0.37
CASP3 P42574 2/20 0.36
CES1 P23141 1/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TGM2 P21980 1/20 0.34
KDR P35968 4/20 0.34
FLT4 P35916 2/20 0.34
FLT3 P36888 2/20 0.34
KIT P10721 1/20 0.34
PKM P14618 1/20 0.34
BACE1 P56817 1/20 0.34
PPOX P50336 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
SCHEMBL4493119 0.91 RXFP1 (0.36) RXFP1LRRK2CASP3CES1MEN1
SCHEMBL4507721 0.86 CES1 (0.46) RXFP1LRRK2CASP3CES1MEN1
SCHEMBL4507715 0.86 CES1 (0.46) RXFP1LRRK2CASP3CES1MEN1
SCHEMBL2568570 0.86 KMT2A (0.41) CASP3MEN1NPC1RAB9AKMT2A
SCHEMBL4495113 0.85 CES1 (0.36) RXFP1LRRK2CASP3CES1NPC1
SCHEMBL4496719 0.85 CES1 (0.47) RXFP1LRRK2CES1MEN1NPC1
SCHEMBL4496723 0.85 CES1 (0.47) RXFP1LRRK2CES1MEN1NPC1
SCHEMBL4492225 0.84 F11 (0.36) RXFP1CASP3CES1MEN1NPC1
SCHEMBL4480932 0.84 RXFP1 (0.36) RXFP1LRRK2CASP3CES1NPC1
SCHEMBL4487044 0.84 CES1 (0.39) RXFP1LRRK2CASP3CES1MEN1

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 RXFP1 425/4885LRRK2 168/4885CASP3 1148/4885

“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.