SCHEMBL4424762

SCHEMBL4424762

NC(=O)c1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.77
HDAC6 Q9UBN7 2/20 0.77
MAPT P10636 10/20 0.75
PKM P14618 2/20 0.75
NPC1 O15118 2/20 0.75
RAB9A P51151 2/20 0.75
MAPK1 P28482 2/20 0.75
TP53 P04637 2/20 0.75
ATM Q13315 1/20 0.75
LMNA P02545 2/20 0.71
ALDH1A1 P00352 5/20 0.70
KDM1A O60341 2/20 0.69
MAOA P21397 2/20 0.69
MAOB P27338 2/20 0.69
KDM1B Q8NB78 2/20 0.69
RCOR1 Q9UKL0 2/20 0.69
KMT2A Q03164 3/20 0.65
MEN1 O00255 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.61
KDM4E B2RXH2 1/20 0.61

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
SCHEMBL4414247 0.89 HDAC8 (0.77) HDAC8HDAC6MAPTPKMNPC1
SCHEMBL8770431 0.88 HDAC8 (0.81) HDAC8HDAC6MAPTPKMNPC1
SCHEMBL1663783 0.88 HDAC8 (0.81) HDAC8HDAC6MAPTPKMNPC1
SCHEMBL4421526 0.87 MAPT (0.69) HDAC8HDAC6MAPTPKMNPC1
SCHEMBL1397706 0.86 GSK3B (0.62) HDAC8HDAC6MAPTPKMNPC1
SCHEMBL13907635 0.86 NPC1 (1.00) HDAC8HDAC6MAPTPKMNPC1
SCHEMBL4252909 0.85 HDAC8 (0.76) HDAC8HDAC6MAPTPKMNPC1
SCHEMBL2565238 0.85 HDAC8 (0.76) HDAC8HDAC6MAPTPKMNPC1
SCHEMBL1663341 0.85 HDAC8 (0.71) HDAC8HDAC6MAPTPKMNPC1
SCHEMBL18745963 0.85 HDAC8 (0.71) HDAC8HDAC6MAPTPKMNPC1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1658290-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-04-15 EP claimed
US-7338957-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2008-03-04 US claimed
JP-2007504159-A 2007-03-01 JP claimed
EP-1658290-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-05-24 EP claimed
WO-2005039486-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-05-06 WO claimed
EP-1658290-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-04-15 EP disclosed
US-20080108616-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-05-08 US disclosed
US-7338957-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2008-03-04 US disclosed
EP-1658290-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-05-24 EP disclosed
WO-2005039486-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-05-06 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-20080108616-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS LCK, FYN, BMX HDAC8 1854/4885HDAC6 663/4885MAPT 1133/4885

“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.