SCHEMBL4495046

SCHEMBL4495046

CNCCN(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 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.35
TGM2 P21980 1/20 0.33
CYP26A1 O43174 2/20 0.32
CYP26B1 Q9NR63 2/20 0.32
CSF1R P07333 1/20 0.32
NR1H4 Q96RI1 3/20 0.32
PDGFRB P09619 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
ALDH1A1 P00352 1/20 0.31
FFAR1 O14842 1/20 0.31
TP53 P04637 1/20 0.31
GLA P06280 1/20 0.31
KDR P35968 2/20 0.30
PRKAA2 P54646 1/20 0.30
PRKAA1 Q13131 1/20 0.30
HPSE Q9Y251 1/20 0.30
AURKA O14965 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
SCHEMBL4495040 1.00 BACE1 (0.35) BACE1TGM2CYP26A1CYP26B1CSF1R
SCHEMBL4495863 0.95 BACE1 (0.35) BACE1TGM2CYP26A1CYP26B1CSF1R
SCHEMBL4495858 0.95 BACE1 (0.35) BACE1TGM2CYP26A1CYP26B1CSF1R
SCHEMBL225437 0.92 BACE1 (0.36) BACE1TGM2CSF1RNR1H4MEN1
SCHEMBL225436 0.92 BACE1 (0.36) BACE1TGM2CSF1RNR1H4MEN1
SCHEMBL4489676 0.92 BACE1 (0.34) BACE1TGM2NR1H4PDGFRBMEN1
SCHEMBL4489681 0.92 BACE1 (0.34) BACE1TGM2NR1H4PDGFRBMEN1
SCHEMBL4488158 0.91 BACE1 (0.36) BACE1TGM2CYP26A1CYP26B1CSF1R
SCHEMBL4488161 0.91 BACE1 (0.36) BACE1TGM2CYP26A1CYP26B1CSF1R
SCHEMBL4476912 0.91 BACE1 (0.40) BACE1TGM2CSF1RPDGFRBKDM4E

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.