SCHEMBL4482552

SCHEMBL4482552

CNCc1ccc(NC(=C2C(=O)Nc3cc(F)ccc32)c2ccc(CC(=O)O)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.41
ALDH1A1 P00352 1/20 0.38
CYP26A1 O43174 3/20 0.37
CYP26B1 Q9NR63 3/20 0.37
NR1H4 Q96RI1 3/20 0.36
TGM2 P21980 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
RORC P51449 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
TP53 P04637 2/20 0.35
FFAR1 O14842 1/20 0.35
GLA P06280 1/20 0.35
HPSE Q9Y251 1/20 0.35
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
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
SCHEMBL4482547 1.00 BACE1 (0.41) BACE1ALDH1A1CYP26A1CYP26B1NR1H4
SCHEMBL4501934 0.91 NR1H4 (0.38) BACE1ALDH1A1CYP26A1CYP26B1NR1H4
SCHEMBL4501927 0.91 NR1H4 (0.38) BACE1ALDH1A1CYP26A1CYP26B1NR1H4
SCHEMBL4494324 0.91 BACE1 (0.39) BACE1ALDH1A1NR1H4TGM2MEN1
SCHEMBL4494331 0.91 BACE1 (0.39) BACE1ALDH1A1NR1H4TGM2MEN1
SCHEMBL4486437 0.91 BACE1 (0.40) BACE1ALDH1A1CYP26A1CYP26B1NR1H4
SCHEMBL225346 0.91 BACE1 (0.42) BACE1ALDH1A1NR1H4TGM2FFAR1
SCHEMBL4486442 0.91 BACE1 (0.40) BACE1ALDH1A1CYP26A1CYP26B1NR1H4
SCHEMBL225345 0.91 BACE1 (0.42) BACE1ALDH1A1NR1H4TGM2FFAR1
SCHEMBL4501618 0.90 BACE1 (0.43) BACE1ALDH1A1TGM2TP53MAPT

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 1615/4885ALDH1A1 2036/4885CYP26A1 517/4885

“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.