SCHEMBL4492556

SCHEMBL4492556

CN(C(=O)C(C)(C)N)c1ccc(N/C(=C2\C(=O)Nc3cc(F)ccc32)c2ccc(N3CCOC3=O)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.37
MAOA P21397 4/20 0.37
MAOB P27338 4/20 0.37
RCOR1 Q9UKL0 4/20 0.37
ELOVL6 Q9H5J4 1/20 0.36
BACE1 P56817 1/20 0.33
KDM1B Q8NB78 2/20 0.33
CHEK1 O14757 2/20 0.32
IKBKB O14920 1/20 0.32
RAF1 P04049 1/20 0.32
ABL1 P00519 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PDGFRB P09619 1/20 0.30
AURKB Q96GD4 1/20 0.30

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
SCHEMBL4498263 0.91 KDM1A (0.37) KDM1AMAOAMAOBRCOR1ELOVL6
SCHEMBL4483325 0.88 KDM1A (0.41) KDM1AMAOAMAOBRCOR1ELOVL6
SCHEMBL4492562 0.88 ELOVL6 (0.37) KDM1AMAOAMAOBRCOR1ELOVL6
SCHEMBL4492558 0.88 ELOVL6 (0.37) KDM1AMAOAMAOBRCOR1ELOVL6
SCHEMBL4499819 0.84 AAK1 (0.39) KDM1AMAOAMAOBRCOR1ELOVL6
SCHEMBL4499816 0.84 AAK1 (0.39) KDM1AMAOAMAOBRCOR1ELOVL6
SCHEMBL4488531 0.84 BACE1 (0.41) BACE1PDGFRBAURKB
SCHEMBL4491904 0.83 ELOVL6 (0.36) KDM1AMAOAMAOBRCOR1ELOVL6
SCHEMBL4491900 0.83 ELOVL6 (0.36) KDM1AMAOAMAOBRCOR1ELOVL6
SCHEMBL4483327 0.83 ELOVL6 (0.37) KDM1AMAOAMAOBRCOR1ELOVL6

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 KDM1A 1808/4885MAOA 822/4885MAOB 668/4885

“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.