SCHEMBL4497166

SCHEMBL4497166

CCC(=O)N(CCNCCc1ccccc1)c1ccc(N/C(=C2\C(=O)Nc3cc(F)ccc32)c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.38
KCNH2 Q12809 3/20 0.37
OPRM1 P35372 6/20 0.35
HASPIN Q8TF76 1/20 0.34
SIGMAR1 Q99720 2/20 0.33
OPRD1 P41143 3/20 0.33
KDR P35968 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
PDPK1 O15530 1/20 0.32
APAF1 O14727 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL4497172 1.00 BACE1 (0.38) BACE1KCNH2OPRM1HASPINSIGMAR1
SCHEMBL4487244 0.92 BACE1 (0.39) BACE1KCNH2HASPINKDRPRKAA2
SCHEMBL4487236 0.92 BACE1 (0.39) BACE1KCNH2HASPINKDRPRKAA2
SCHEMBL4486118 0.91 CNR1 (0.35) OPRM1SIGMAR1KDRPRKAA2PRKAA1
SCHEMBL4486126 0.91 CNR1 (0.35) OPRM1SIGMAR1KDRPRKAA2PRKAA1
SCHEMBL4490077 0.90 BACE1 (0.39) BACE1OPRM1KDRPRKAA2PRKAA1
SCHEMBL4490084 0.90 BACE1 (0.39) BACE1OPRM1KDRPRKAA2PRKAA1
SCHEMBL4482258 0.87 BACE1 (0.39) BACE1OPRM1KDRPRKAA2PRKAA1
SCHEMBL4482260 0.87 BACE1 (0.39) BACE1OPRM1KDRPRKAA2PRKAA1
SCHEMBL4497169 0.87 BACE1 (0.37) BACE1OPRM1SIGMAR1

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 1615/4885KCNH2 2021/4885OPRM1 612/4885

“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.