SCHEMBL4493874

SCHEMBL4493874

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.35
KDM4E B2RXH2 1/20 0.35
APAF1 O14727 1/20 0.35
MITF O75030 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CES1 P23141 1/20 0.34
LRRK2 Q5S007 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
KDR P35968 5/20 0.33
PLK1 P53350 3/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
FLT4 P35916 2/20 0.33
FLT3 P36888 2/20 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
SCHEMBL4493292 0.90 BACE1 (0.40) CASP3MAPTSMN1; SMN2LRRK2RXFP1
SCHEMBL4500469 0.90 LRRK2 (0.35) POLBMAPTSMN1; SMN2CES1LRRK2
SCHEMBL4493877 0.84 SMN1; SMN2 (0.35) CASP3KDM4EAPAF1MITFPOLB
SCHEMBL4493881 0.84 SMN1; SMN2 (0.35) CASP3KDM4EAPAF1MITFPOLB
SCHEMBL4487044 0.84 CES1 (0.39) CASP3KDM4EAPAF1MITFPOLB
SCHEMBL227304 0.84 KDR (0.36) POLBSMN1; SMN2CES1LRRK2KDR
SCHEMBL4485052 0.83 RXFP1 (0.36) KDM4EMAPTLRRK2RXFP1KDR
SCHEMBL4497424 0.82 RXFP1 (0.35) CASP3KDM4EAPAF1MITFPOLB
SCHEMBL4500430 0.82 CASP3 (0.36) CASP3KDM4EAPAF1MITFPOLB
SCHEMBL4506120 0.82 LRRK2 (0.42) POLBMAPTHTTSMN1; SMN2CES1

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 CASP3 1148/4885KDM4E 1648/4885APAF1 3774/4885

“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.