SCHEMBL4497100

SCHEMBL4497100

COC(=O)Nc1ccc(/C(Nc2ccc(CN(C)C)cc2)=C2/C(=O)Nc3cc(F)ccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.40
KDR P35968 1/20 0.36
TGM2 P21980 1/20 0.36
ROCK2 O75116 5/20 0.35
CYP3A4 P08684 2/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
KCNH2 Q12809 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
MCHR1 Q99705 3/20 0.35
LSS P48449 1/20 0.35
GSK3B P49841 3/20 0.35
CYP2C19 P33261 1/20 0.35
CTNNB1 P35222 1/20 0.35
TCF7L2 Q9NQB0 1/20 0.35
RXFP1 Q9HBX9 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
SCHEMBL4497105 1.00 BACE1 (0.40) BACE1KDRTGM2ROCK2CYP3A4
SCHEMBL225211 0.91 KMT2A (0.40) BACE1KDRTGM2ROCK2CYP3A4
SCHEMBL225212 0.91 KMT2A (0.40) BACE1KDRTGM2ROCK2CYP3A4
SCHEMBL227988 0.89 BACE1 (0.40) BACE1KDRTGM2ROCK2CYP3A4
SCHEMBL227987 0.89 BACE1 (0.40) BACE1KDRTGM2ROCK2CYP3A4
SCHEMBL225485 0.89 BACE1 (0.40) BACE1TGM2ROCK2MEN1MAPK1
SCHEMBL4496693 0.89 LSS (0.43) ROCK2CYP3A4MEN1KMT2ALSS
SCHEMBL4496695 0.89 LSS (0.43) ROCK2CYP3A4MEN1KMT2ALSS
SCHEMBL225486 0.89 BACE1 (0.40) BACE1TGM2ROCK2MEN1MAPK1
SCHEMBL227760 0.89 BACE1 (0.39) BACE1KDRTGM2ROCK2MCHR1

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 BACE1 1615/4885KDR 1/4885TGM2 4379/4885

“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.