SCHEMBL4497096

SCHEMBL4497096

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.41
BRD4 O60885 2/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
TGM2 P21980 1/20 0.37
KDR P35968 3/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
GSK3B P49841 3/20 0.36
CTDSP1 Q9GZU7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL4496688 0.89 KMT2A (0.38) KMT2AMEN1KDRCA12CA1
SCHEMBL227758 0.88 BACE1 (0.41) BACE1BRD4KMT2AMEN1TGM2
SCHEMBL225210 0.88 SMN1; SMN2 (0.46) BACE1BRD4KMT2AMEN1SMN1; SMN2
SCHEMBL4504086 0.88 BACE1 (0.44) BACE1BRD4KMT2AMEN1TGM2
SCHEMBL4500074 0.87 BACE1 (0.38) BACE1BRD4TGM2KDRCA12
SCHEMBL228470 0.87 MAOB (0.39) BACE1BRD4KMT2AMEN1TGM2
SCHEMBL223437 0.86 BACE1 (0.39) BACE1BRD4KMT2AMEN1TGM2
SCHEMBL3527284 0.85 HDAC1 (0.41) BACE1MAPT
SCHEMBL228330 0.85 BACE1 (0.41) BACE1BRD4KMT2AMEN1TGM2
SCHEMBL4487312 0.85 BRD4 (0.40) BACE1BRD4KMT2AMEN1TGM2

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 1615/4885BRD4 2704/4885KMT2A 3530/4885

“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.