SCHEMBL4488161

SCHEMBL4488161

CC(=O)N(CCN(C)C)c1ccc(NC(=C2C(=O)Nc3cc(F)ccc32)c2ccc(CC(=O)O)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.36
TGM2 P21980 1/20 0.34
PDGFRB P09619 1/20 0.33
CYP26B1 Q9NR63 3/20 0.33
CYP26A1 O43174 2/20 0.33
CSF1R P07333 1/20 0.32
NR1H4 Q96RI1 3/20 0.32
FLT3 P36888 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTR1F P30939 1/20 0.31
FFAR1 O14842 1/20 0.31
TP53 P04637 1/20 0.31
GLA P06280 1/20 0.31

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
SCHEMBL4488158 1.00 BACE1 (0.36) BACE1TGM2PDGFRBCYP26B1CYP26A1
SCHEMBL223854 0.92 BACE1 (0.37) BACE1TGM2PDGFRBCSF1RNR1H4
SCHEMBL223855 0.92 BACE1 (0.37) BACE1TGM2PDGFRBCSF1RNR1H4
SCHEMBL4486097 0.91 BACE1 (0.35) BACE1TGM2PDGFRBNR1H4FLT3
SCHEMBL4486100 0.91 BACE1 (0.35) BACE1TGM2PDGFRBNR1H4FLT3
SCHEMBL4495040 0.91 BACE1 (0.35) BACE1TGM2PDGFRBCYP26B1CYP26A1
SCHEMBL4495046 0.91 BACE1 (0.35) BACE1TGM2PDGFRBCYP26B1CYP26A1
SCHEMBL4494308 0.91 BACE1 (0.41) BACE1TGM2PDGFRBFLT3ALDH1A1
SCHEMBL6182458 0.91 BACE1 (0.41) BACE1TGM2PDGFRBFLT3ALDH1A1
SCHEMBL4494303 0.91 BACE1 (0.41) BACE1TGM2PDGFRBFLT3ALDH1A1

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 1615/4885TGM2 4379/4885PDGFRB 105/4885

“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.