SCHEMBL4487925

SCHEMBL4487925

NCc1ccc(NC(=C2C(=O)Nc3cc(F)ccc32)c2cccc(CC(=O)O)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.40
NR1H4 Q96RI1 3/20 0.37
FFAR1 O14842 2/20 0.37
HPSE Q9Y251 2/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
GLA P06280 1/20 0.37
KMT2A Q03164 1/20 0.37
ROCK2 O75116 3/20 0.36
AKT2 P31751 1/20 0.36
ALDH1A1 P00352 1/20 0.36
AGBL2 Q5U5Z8 1/20 0.36
AURKB Q96GD4 2/20 0.35
AURKA O14965 1/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
KDR P35968 1/20 0.35
FLT3 P36888 1/20 0.35
AURKC Q9UQB9 1/20 0.35
HDAC3 O15379 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
SCHEMBL4487921 1.00 BACE1 (0.40) BACE1NR1H4FFAR1HPSEMEN1
SCHEMBL228081 0.92 BACE1 (0.43) BACE1NR1H4HPSEMEN1TP53
SCHEMBL228080 0.92 BACE1 (0.43) BACE1NR1H4HPSEMEN1TP53
SCHEMBL4482028 0.92 BACE1 (0.42) BACE1NR1H4FFAR1HPSEMEN1
SCHEMBL4482025 0.92 BACE1 (0.42) BACE1NR1H4FFAR1HPSEMEN1
SCHEMBL228167 0.91 FFAR1 (0.41) BACE1NR1H4FFAR1ROCK2AKT2
SCHEMBL228166 0.91 FFAR1 (0.41) BACE1NR1H4FFAR1ROCK2AKT2
SCHEMBL4494324 0.90 BACE1 (0.39) BACE1NR1H4FFAR1HPSEMEN1
SCHEMBL4494331 0.90 BACE1 (0.39) BACE1NR1H4FFAR1HPSEMEN1
SCHEMBL224439 0.89 ROCK2 (0.40) BACE1NR1H4FFAR1HPSEMEN1

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 1615/4885NR1H4 544/4885FFAR1 778/4885

“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.