SCHEMBL4495863

SCHEMBL4495863

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

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.35
TGM2 P21980 1/20 0.32
CYP26A1 O43174 1/20 0.31
CYP26B1 Q9NR63 1/20 0.31
NR1H3 Q13133 1/20 0.31
CSF1R P07333 1/20 0.31
HDAC1 Q13547 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
PDGFRB P09619 1/20 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
ALDH1A1 P00352 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
SCHEMBL4495858 1.00 BACE1 (0.35) BACE1TGM2CYP26A1CYP26B1NR1H3
SCHEMBL4495046 0.95 BACE1 (0.35) BACE1TGM2CYP26A1CYP26B1CSF1R
SCHEMBL4495040 0.95 BACE1 (0.35) BACE1TGM2CYP26A1CYP26B1CSF1R
SCHEMBL223984 0.92 BACE1 (0.35) BACE1TGM2CSF1RHDAC1NR1H4
SCHEMBL223985 0.92 BACE1 (0.35) BACE1TGM2CSF1RHDAC1NR1H4
SCHEMBL4502082 0.92 BACE1 (0.33) BACE1TGM2PDGFRBMEN1KMT2A
SCHEMBL4502077 0.92 BACE1 (0.33) BACE1TGM2PDGFRBMEN1KMT2A
SCHEMBL4492148 0.91 KDM4E (0.34) CYP26A1CYP26B1CSF1RHDAC1NR1H4
SCHEMBL4492150 0.91 KDM4E (0.34) CYP26A1CYP26B1CSF1RHDAC1NR1H4
SCHEMBL4488158 0.90 BACE1 (0.36) BACE1TGM2CYP26A1CYP26B1CSF1R

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 4379/4885CYP26A1 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.