SCHEMBL4487044

SCHEMBL4487044

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
LRRK2 Q5S007 3/20 0.38
CASP3 P42574 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
APAF1 O14727 1/20 0.37
MITF O75030 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
TGM2 P21980 1/20 0.36
KDR P35968 3/20 0.36
KIT P10721 1/20 0.36
FLT4 P35916 1/20 0.36
FLT3 P36888 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL227368 0.94 NPC1 (0.42) CES1LRRK2SMN1; SMN2TGM2KDR
SCHEMBL4480926 0.92 RXFP1 (0.37) CES1RXFP1LRRK2CASP3SMN1; SMN2
SCHEMBL4494325 0.92 CES1 (0.36) CES1RXFP1LRRK2CASP3TGM2
SCHEMBL4492645 0.92 NPC1 (0.45) CES1RXFP1POLBHTTBACE1
SCHEMBL4492642 0.92 NPC1 (0.45) CES1RXFP1POLBHTTBACE1
SCHEMBL4500430 0.91 CASP3 (0.36) CES1RXFP1LRRK2CASP3SMN1; SMN2
SCHEMBL4504444 0.91 P2RX1 (0.40) CES1RXFP1POLBKDRMEN1
SCHEMBL4493122 0.91 TGM2 (0.36) CES1RXFP1LRRK2CASP3SMN1; SMN2
SCHEMBL4507715 0.90 CES1 (0.46) CES1RXFP1LRRK2CASP3SMN1; SMN2
SCHEMBL4507721 0.90 CES1 (0.46) CES1RXFP1LRRK2CASP3SMN1; SMN2

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 2176/4885RXFP1 425/4885LRRK2 168/4885

“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.