SCHEMBL4498268

SCHEMBL4498268

CN(C)CC(=O)N(C)c1ccc(NC(=C2C(=O)Nc3cc(Cl)ccc32)c2ccc(N3CCOC3=O)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.36
MAOA P21397 4/20 0.36
MAOB P27338 4/20 0.36
RCOR1 Q9UKL0 4/20 0.36
IDH1 O75874 3/20 0.32
MAPT P10636 3/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
F10 P00742 5/20 0.32
KDM1B Q8NB78 2/20 0.32
ELOVL6 Q9H5J4 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL4498266 1.00 KDM1A (0.36) KDM1AMAOAMAOBRCOR1IDH1
SCHEMBL4492558 0.91 ELOVL6 (0.37) KDM1AMAOAMAOBRCOR1MAPT
SCHEMBL4492562 0.91 ELOVL6 (0.37) KDM1AMAOAMAOBRCOR1MAPT
SCHEMBL4494778 0.89 AAK1 (0.39) KDM1AMAOAMAOBRCOR1MAPT
SCHEMBL4494783 0.89 AAK1 (0.39) KDM1AMAOAMAOBRCOR1MAPT
SCHEMBL4498263 0.88 KDM1A (0.37) KDM1AMAOAMAOBRCOR1IDH1
SCHEMBL4489405 0.87 F10 (0.40) MAPTALDH1A1SMN1; SMN2LMNAF10
SCHEMBL4489404 0.87 F10 (0.40) MAPTALDH1A1SMN1; SMN2LMNAF10
SCHEMBL4505105 0.87 KDM1A (0.37) KDM1AMAOAMAOBRCOR1IDH1
SCHEMBL4505108 0.87 KDM1A (0.37) KDM1AMAOAMAOBRCOR1IDH1

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 2 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

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.