SCHEMBL4494601

SCHEMBL4494601

CN(C)CCCN(c1ccc(N/C(=C2\C(=O)Nc3cc(F)ccc32)c2ccc(CC(=O)O)cc2)cc1)S(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TOP2B Q02880 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
GALR3 O60755 1/20 0.34
RAB9A P51151 1/20 0.34
NAMPT P43490 2/20 0.33
FLT3 P36888 1/20 0.33
KMT2A Q03164 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
MAPT P10636 1/20 0.33
CYP26A1 O43174 1/20 0.33
CYP26B1 Q9NR63 1/20 0.33
CTNNB1 P35222 1/20 0.32
TCF7L2 Q9NQB0 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
SCHEMBL4494605 1.00 BACE1 (0.36) BACE1SMN1; SMN2TOP2BKDM4ENPC1
SCHEMBL226775 0.95 BACE1 (0.35) BACE1SMN1; SMN2KDM4ENPC1GALR3
SCHEMBL226774 0.95 BACE1 (0.35) BACE1SMN1; SMN2KDM4ENPC1GALR3
SCHEMBL225354 0.93 BACE1 (0.37) BACE1SMN1; SMN2TOP2BKDM4ENPC1
SCHEMBL225353 0.93 BACE1 (0.37) BACE1SMN1; SMN2TOP2BKDM4ENPC1
SCHEMBL4493418 0.92 KMT2A (0.36) BACE1SMN1; SMN2TOP2BFLT3KMT2A
SCHEMBL4493421 0.92 KMT2A (0.36) BACE1SMN1; SMN2TOP2BFLT3KMT2A
SCHEMBL4497689 0.91 CPT1A (0.36) SMN1; SMN2TOP2BKDM4ENPC1GALR3
SCHEMBL4494487 0.91 CPT1A (0.36) SMN1; SMN2TOP2BKDM4ENPC1GALR3
SCHEMBL4500161 0.91 BACE1 (0.39) BACE1SMN1; SMN2TOP2BNAMPTFLT3

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 1615/4885SMN1; SMN2 4006/4885TOP2B 946/4885

“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.