SCHEMBL4485308

SCHEMBL4485308

CN(C)CCN(C)Cc1ccc(N/C(=C2\C(=O)Nc3cc(F)ccc32)c2ccc(CC(=O)O)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.39
BACE1 P56817 1/20 0.38
BCHE P06276 3/20 0.36
ACHE P22303 3/20 0.36
FLT3 P36888 2/20 0.36
F10 P00742 1/20 0.35
NAMPT P43490 1/20 0.35
ACKR3 P25106 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
CYP26A1 O43174 1/20 0.34
CYP26B1 Q9NR63 1/20 0.34
HIF1A Q16665 1/20 0.34
EPAS1 Q99814 1/20 0.34
NR1H4 Q96RI1 1/20 0.33
ROCK2 O75116 1/20 0.33
TGM2 P21980 1/20 0.33

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
SCHEMBL4485313 1.00 LTA4H (0.39) LTA4HBACE1BCHEACHEFLT3
SCHEMBL225486 0.92 BACE1 (0.40) BACE1BCHEACHENAMPTCYP26A1
SCHEMBL225485 0.92 BACE1 (0.40) BACE1BCHEACHENAMPTCYP26A1
SCHEMBL4497303 0.92 BCHE (0.36) LTA4HBACE1BCHEACHEFLT3
SCHEMBL4497305 0.92 BCHE (0.36) LTA4HBACE1BCHEACHEFLT3
SCHEMBL228644 0.92 BACE1 (0.38) LTA4HBACE1BCHEACHEFLT3
SCHEMBL228645 0.92 BACE1 (0.38) LTA4HBACE1BCHEACHEFLT3
SCHEMBL4492313 0.91 BACE1 (0.40) LTA4HBACE1BCHEACHEFLT3
SCHEMBL4492319 0.91 BACE1 (0.40) LTA4HBACE1BCHEACHEFLT3
SCHEMBL227964 0.91 BACE1 (0.41) BACE1FLT3CYP26A1CYP26B1NR1H4

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 4 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
EP-1527046-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-05-04 EP disclosed
WO-2004009546-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-01-29 WO 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 LTA4H 3908/4885BACE1 1615/4885BCHE 4203/4885

“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.