SCHEMBL4489681

SCHEMBL4489681

CNCCN(C(C)=O)c1ccc(NC(=C2C(=O)Nc3cc(F)ccc32)c2cccc(CC(=O)O)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.34
ACHE P22303 1/20 0.32
TGM2 P21980 1/20 0.32
FFAR1 O14842 2/20 0.31
MCHR1 Q99705 1/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
GLA P06280 1/20 0.31
KMT2A Q03164 1/20 0.31
HPSE Q9Y251 1/20 0.31
KDR P35968 2/20 0.31
FLT3 P36888 2/20 0.31
PDGFRB P09619 2/20 0.31
AURKA O14965 1/20 0.31
PDGFRA P16234 1/20 0.31
AURKB Q96GD4 1/20 0.31
AURKC Q9UQB9 1/20 0.31
AGBL2 Q5U5Z8 1/20 0.30
FLT4 P35916 1/20 0.30
PTPRB P23467 1/20 0.30

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
SCHEMBL4489676 1.00 BACE1 (0.34) BACE1ACHETGM2FFAR1MCHR1
SCHEMBL4502077 0.95 BACE1 (0.33) BACE1ACHETGM2FFAR1MEN1
SCHEMBL4502082 0.95 BACE1 (0.33) BACE1ACHETGM2FFAR1MEN1
SCHEMBL226445 0.93 BACE1 (0.35) BACE1ACHETGM2FFAR1MCHR1
SCHEMBL226444 0.93 BACE1 (0.35) BACE1ACHETGM2FFAR1MCHR1
SCHEMBL4486097 0.92 BACE1 (0.35) BACE1ACHETGM2FFAR1MCHR1
SCHEMBL4486100 0.92 BACE1 (0.35) BACE1ACHETGM2FFAR1MCHR1
SCHEMBL4495046 0.92 BACE1 (0.35) BACE1TGM2FFAR1MEN1TP53
SCHEMBL4495040 0.92 BACE1 (0.35) BACE1TGM2FFAR1MEN1TP53
SCHEMBL4505215 0.91 MCHR1 (0.33) FFAR1MCHR1MEN1TP53GLA

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 1615/4885ACHE 2967/4885TGM2 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.