SCHEMBL4494399

SCHEMBL4494399

O=C1Nc2cc(F)ccc2/C1=C(/Nc1ccc(CN(CCO)CCO)cc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.41
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.38
AURKB Q96GD4 2/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
AURKA O14965 1/20 0.34
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
KDR P35968 1/20 0.34
FLT3 P36888 1/20 0.34
AURKC Q9UQB9 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPK1 P28482 1/20 0.34
HDAC1 Q13547 1/20 0.33
MEP1B Q16820 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
SCHEMBL4501622 0.91 BACE1 (0.40) BACE1LMNAGAAPDGFRBKDR
SCHEMBL4501626 0.91 BACE1 (0.40) BACE1LMNAGAAPDGFRBKDR
SCHEMBL4496151 0.90 BACE1 (0.41) BACE1MAPTKDRRORCACHE
SCHEMBL4496154 0.90 BACE1 (0.41) BACE1MAPTKDRRORCACHE
SCHEMBL4496029 0.89 HTT (0.35) BACE1HTTMAPTRXFP1KDR
SCHEMBL2567159 0.89 BACE1 (0.39) BACE1AURKBMEN1KMT2AHDAC1
SCHEMBL4504092 0.87 BACE1 (0.43) BACE1AURKBTP53MAPTSMN1; SMN2
SCHEMBL4504089 0.87 BACE1 (0.43) BACE1AURKBTP53MAPTSMN1; SMN2
SCHEMBL4493087 0.87 ACHE (0.43) BACE1RORCACHE
SCHEMBL4493092 0.87 ACHE (0.43) BACE1RORCACHE

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 BACE1 1615/4885LMNA 1884/4885GAA 4394/4885

“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.