SCHEMBL4496135

SCHEMBL4496135

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

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.35
CYP26B1 Q9NR63 2/20 0.34
NAMPT P43490 2/20 0.33
FLT3 P36888 2/20 0.33
NR1H4 Q96RI1 1/20 0.33
FOLH1 Q04609 1/20 0.33
SIRT2 Q8IXJ6 5/20 0.32
PDGFRB P09619 1/20 0.32
SIRT1 Q96EB6 4/20 0.32
CXCR1 P25024 1/20 0.31
CXCR2 P25025 1/20 0.31
CYP26A1 O43174 1/20 0.31
CETP P11597 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
SCHEMBL4496130 1.00 BACE1 (0.35) BACE1CYP26B1NAMPTFLT3NR1H4
SCHEMBL228506 0.98 BACE1 (0.35) BACE1CYP26B1NAMPTFLT3NR1H4
SCHEMBL228505 0.98 BACE1 (0.35) BACE1CYP26B1NAMPTFLT3NR1H4
SCHEMBL223697 0.94 BACE1 (0.36) BACE1CYP26B1FLT3NR1H4PDGFRB
SCHEMBL223698 0.94 BACE1 (0.36) BACE1CYP26B1FLT3NR1H4PDGFRB
SCHEMBL225230 0.93 BACE1 (0.36) BACE1NAMPTFLT3NR1H4FOLH1
SCHEMBL225231 0.93 BACE1 (0.36) BACE1NAMPTFLT3NR1H4FOLH1
SCHEMBL3527888 0.92 SENP1 (0.34) BACE1NAMPTFLT3FOLH1SIRT2
SCHEMBL3527884 0.92 SENP1 (0.34) BACE1NAMPTFLT3FOLH1SIRT2
SCHEMBL227126 0.92 BACE1 (0.37) BACE1NAMPTFLT3NR1H4FOLH1

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 1615/4885CYP26B1 494/4885NAMPT 3483/4885

“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.