SCHEMBL4497303

SCHEMBL4497303

CN(C)CCN(C)Cc1ccc(N/C(=C2\C(=O)Nc3cc(F)ccc32)c2cccc(CC(=O)O)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.36
ACHE P22303 5/20 0.36
BACE1 P56817 1/20 0.35
LTA4H P09960 2/20 0.35
NAMPT P43490 1/20 0.34
TMEM97 Q5BJF2 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
MEN1 O00255 1/20 0.34
FFAR1 O14842 1/20 0.34
TP53 P04637 1/20 0.34
GLA P06280 1/20 0.34
KMT2A Q03164 1/20 0.34
ACKR3 P25106 1/20 0.34
ROCK2 O75116 3/20 0.34
FLT3 P36888 1/20 0.34
HIF1A Q16665 1/20 0.34
EPAS1 Q99814 1/20 0.34
PTGDR2 Q9Y5Y4 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
SCHEMBL4497305 1.00 BCHE (0.36) BCHEACHEBACE1LTA4HNAMPT
SCHEMBL224440 0.93 ROCK2 (0.40) BCHEACHEBACE1NAMPTMEN1
SCHEMBL224439 0.93 ROCK2 (0.40) BCHEACHEBACE1NAMPTMEN1
SCHEMBL226569 0.92 PPARG (0.37) ACHEBACE1LTA4HNAMPTTMEM97
SCHEMBL226570 0.92 PPARG (0.37) ACHEBACE1LTA4HNAMPTTMEM97
SCHEMBL4485313 0.92 LTA4H (0.39) BCHEACHEBACE1LTA4HNAMPT
SCHEMBL4485308 0.92 LTA4H (0.39) BCHEACHEBACE1LTA4HNAMPT
SCHEMBL226596 0.91 BACE1 (0.39) BACE1MEN1FFAR1TP53GLA
SCHEMBL226597 0.91 BACE1 (0.39) BACE1MEN1FFAR1TP53GLA
SCHEMBL4504217 0.91 TMEM97 (0.42) BCHEACHELTA4HTMEM97SIGMAR1

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 BCHE 4203/4885ACHE 2967/4885BACE1 1615/4885

“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.