SCHEMBL4495758

SCHEMBL4495758

O=C1Nc2cc(F)ccc2/C1=C(/Nc1ccc(CN2CCOCC2)cc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.55
NPC1 O15118 12/20 0.55
SMN1; SMN2 Q16637 9/20 0.55
TP53 P04637 4/20 0.55
ALDH1A1 P00352 3/20 0.55
HIF1A Q16665 2/20 0.48
EPAS1 Q99814 2/20 0.48
HTT P42858 2/20 0.47
MAPT P10636 3/20 0.46
KMT2A Q03164 4/20 0.46
CDK2 P24941 1/20 0.45
FLT3 P36888 1/20 0.45
CCNA1 P78396 1/20 0.45
MEN1 O00255 3/20 0.44
LMNA P02545 4/20 0.44
MAPK1 P28482 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL4495762 1.00 RAB9A (0.55) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL4489206 0.92 RAB9A (0.45) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL4489205 0.92 RAB9A (0.45) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL4479647 0.91 RAB9A (0.46) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL4479654 0.91 RAB9A (0.46) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL4507457 0.90 RAB9A (0.50) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL4507453 0.90 RAB9A (0.50) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL4494103 0.90 SLC2A1 (0.45) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL4494104 0.90 SLC2A1 (0.45) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL226759 0.90 NPC1 (0.51) RAB9ANPC1SMN1; SMN2TP53ALDH1A1

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 RAB9A 1671/4885NPC1 3787/4885SMN1; SMN2 4006/4885

“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.