SCHEMBL4504086

SCHEMBL4504086

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.44
BRD4 O60885 3/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HDAC3 O15379 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TGM2 P21980 1/20 0.37
KDR P35968 3/20 0.37
CASP3 P42574 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 2/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
BRD2 P25440 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 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
SCHEMBL228330 0.93 BACE1 (0.41) BACE1BRD4TP53MAPTSMN1; SMN2
SCHEMBL4496148 0.90 BACE1 (0.41) BACE1BRD4TP53MAPTSMN1; SMN2
SCHEMBL227758 0.90 BACE1 (0.41) BACE1BRD4TP53MAPTSMN1; SMN2
SCHEMBL4505422 0.90 KDR (0.42) BACE1BRD4TP53MAPTSMN1; SMN2
SCHEMBL224886 0.89 BACE1 (0.39) BACE1BRD4TP53MAPTSMN1; SMN2
SCHEMBL4487312 0.89 BRD4 (0.40) BACE1BRD4TP53MAPTSMN1; SMN2
SCHEMBL4487044 0.88 CES1 (0.39) BACE1BRD4MAPTSMN1; SMN2RXFP1
SCHEMBL4491078 0.88 BRD4 (0.38) BACE1BRD4NPC1RAB9ATGM2
SCHEMBL223437 0.88 BACE1 (0.39) BACE1BRD4TP53MAPTSMN1; SMN2
SCHEMBL4497096 0.88 BACE1 (0.41) BACE1BRD4TP53MAPTSMN1; 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 BACE1 1615/4885BRD4 2704/4885TP53 681/4885

“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.