SCHEMBL4497737

SCHEMBL4497737

COC(=O)Nc1ccc(/C(Nc2ccc(N(CCCN(C)C)C(C)=O)cc2)=C2/C(=O)Nc3cc(Cl)ccc32)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
AHR P35869 1/20 0.35
MAPT P10636 3/20 0.34
LRRK2 Q5S007 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PDGFRB P09619 3/20 0.33
KDR P35968 3/20 0.33
PLK1 P53350 3/20 0.33
PLK3 Q9H4B4 2/20 0.33
LCK P06239 2/20 0.33
CHEK1 O14757 1/20 0.33
DAPK3 O43293 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
PAK4 O96013 1/20 0.33
ABL1 P00519 1/20 0.33
RET P07949 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
SCHEMBL4497740 1.00 NPC1 (0.35) NPC1POLBAHRMAPTLRRK2
SCHEMBL4486757 0.95 NPC1 (0.36) NPC1POLBAHRMAPTLRRK2
SCHEMBL4486749 0.95 NPC1 (0.36) NPC1POLBAHRMAPTLRRK2
SCHEMBL225449 0.94 LRRK2 (0.36) NPC1POLBAHRMAPTLRRK2
SCHEMBL225448 0.94 LRRK2 (0.36) NPC1POLBAHRMAPTLRRK2
SCHEMBL4488448 0.92 LRRK2 (0.35) NPC1POLBAHRLRRK2PDGFRB
SCHEMBL4488452 0.92 LRRK2 (0.35) NPC1POLBAHRLRRK2PDGFRB
SCHEMBL4485489 0.91 KDM4E (0.37) NPC1POLBAHRLRRK2ALDH1A1
SCHEMBL4485494 0.91 KDM4E (0.37) NPC1POLBAHRLRRK2ALDH1A1
SCHEMBL4499455 0.90 FLT3 (0.36) MAPTLRRK2ALDH1A1PDGFRBKDR

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 NPC1 3787/4885POLB 4146/4885AHR 598/4885

“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.