SCHEMBL4505103

SCHEMBL4505103

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.42
MAOA P21397 4/20 0.42
MAOB P27338 4/20 0.42
RCOR1 Q9UKL0 4/20 0.42
CHEK1 O14757 2/20 0.37
IKBKB O14920 1/20 0.37
KDM1B Q8NB78 2/20 0.35
IDH1 O75874 8/20 0.34
F10 P00742 2/20 0.34
ELOVL6 Q9H5J4 1/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
CCR6 P51684 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
SCHEMBL4483325 0.91 KDM1A (0.41) KDM1AMAOAMAOBRCOR1CHEK1
SCHEMBL4498263 0.89 KDM1A (0.37) KDM1AMAOAMAOBRCOR1CHEK1
SCHEMBL4505105 0.86 KDM1A (0.37) KDM1AMAOAMAOBRCOR1CHEK1
SCHEMBL4505108 0.86 KDM1A (0.37) KDM1AMAOAMAOBRCOR1CHEK1
SCHEMBL4496450 0.86 F10 (0.44) F10LMNAMAPT
SCHEMBL4484127 0.85 KDM1A (0.36) KDM1AMAOAMAOBRCOR1CHEK1
SCHEMBL4484130 0.85 KDM1A (0.36) KDM1AMAOAMAOBRCOR1CHEK1
SCHEMBL227368 0.85 NPC1 (0.42)
SCHEMBL4498266 0.83 KDM1A (0.36) KDM1AMAOAMAOBRCOR1KDM1B
SCHEMBL4498268 0.83 KDM1A (0.36) KDM1AMAOAMAOBRCOR1KDM1B

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.