SCHEMBL4498263

SCHEMBL4498263

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

nearest known ligand 0.37

Predicted protein targets (top 16)

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
KDM1B Q8NB78 2/20 0.33
CHEK1 O14757 2/20 0.32
IKBKB O14920 1/20 0.32
IDH1 O75874 4/20 0.32
F10 P00742 3/20 0.31
ELOVL6 Q9H5J4 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL4492556 0.91 KDM1A (0.37) KDM1AMAOAMAOBRCOR1KDM1B
SCHEMBL4505103 0.89 KDM1A (0.42) KDM1AMAOAMAOBRCOR1KDM1B
SCHEMBL4489403 0.88 F10 (0.40) KDM1AMAOBF10ALDH1A1LMNA
SCHEMBL4498266 0.88 KDM1A (0.36) KDM1AMAOAMAOBRCOR1KDM1B
SCHEMBL4498268 0.88 KDM1A (0.36) KDM1AMAOAMAOBRCOR1KDM1B
SCHEMBL227304 0.87 KDR (0.36) F10SMN1; SMN2
SCHEMBL4494778 0.84 AAK1 (0.39) KDM1AMAOAMAOBRCOR1CHEK1
SCHEMBL4494783 0.84 AAK1 (0.39) KDM1AMAOAMAOBRCOR1CHEK1
SCHEMBL4506120 0.84 LRRK2 (0.42) ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL4500469 0.84 LRRK2 (0.35) ALDH1A1LMNAMAPTSMN1; SMN2

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.