SCHEMBL4488682

SCHEMBL4488682

CN(C)CCN(C)CC(=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 18)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.35
CYP26B1 Q9NR63 2/20 0.34
NR1H4 Q96RI1 2/20 0.33
LTA4H P09960 1/20 0.33
PDGFRB P09619 1/20 0.32
CXCR1 P25024 1/20 0.31
CXCR2 P25025 1/20 0.31
CYP26A1 O43174 1/20 0.31
CSF1R P07333 1/20 0.31
NAMPT P43490 2/20 0.31
TYK2 P29597 1/20 0.31
TGM2 P21980 1/20 0.31
FLT3 P36888 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
LMNA P02545 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
SCHEMBL4488675 1.00 BACE1 (0.35) BACE1CYP26B1NR1H4LTA4HPDGFRB
SCHEMBL225792 0.93 BACE1 (0.37) BACE1CYP26B1NR1H4PDGFRBCXCR1
SCHEMBL225791 0.93 BACE1 (0.37) BACE1CYP26B1NR1H4PDGFRBCXCR1
SCHEMBL228612 0.92 BACE1 (0.35) BACE1NR1H4LTA4HPDGFRBCXCR1
SCHEMBL228611 0.92 BACE1 (0.35) BACE1NR1H4LTA4HPDGFRBCXCR1
SCHEMBL4497750 0.92 SENP1 (0.34) BACE1PDGFRBCXCR1CXCR2FLT3
SCHEMBL4497758 0.92 SENP1 (0.34) BACE1PDGFRBCXCR1CXCR2FLT3
SCHEMBL223697 0.91 BACE1 (0.36) BACE1CYP26B1NR1H4PDGFRBCXCR1
SCHEMBL223698 0.91 BACE1 (0.36) BACE1CYP26B1NR1H4PDGFRBCXCR1
SCHEMBL4477236 0.91 BACE1 (0.39) BACE1LTA4HPDGFRBCXCR1CXCR2

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 494/4885NR1H4 544/4885

“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.