SCHEMBL5584036

SCHEMBL5584036

Nc1ccccc1NC(=O)c1ccc(CNc2nc3c(OC(=O)NCCN4CCOCC4)cccc3s2)cc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.62
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
AURKB Q96GD4 3/20 0.44
IDO1 P14902 1/20 0.44
CD274 Q9NZQ7 1/20 0.43

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
SCHEMBL211110 0.85 HDAC1 (0.80) HDAC1AURKB
SCHEMBL1061039 0.76 HDAC1 (1.00) HDAC1AURKB
SCHEMBL210488 0.75 HDAC1 (0.64) HDAC1AURKBCD274
SCHEMBL13390549 0.73 HDAC1 (0.62) HDAC1GAAMAPT
SCHEMBL210528 0.73 HDAC1 (0.70) HDAC1
SCHEMBL4972632 0.72 HDAC1 (0.78) HDAC1MEN1KMT2A
SCHEMBL13646217 0.71 HDAC1 (0.61) HDAC1
SCHEMBL5584035 0.70 HDAC1 (0.48) HDAC1GAA
SCHEMBL211111 0.69 AURKB (0.56) HDAC1AURKB
SCHEMBL3552633 0.69 HDAC1 (0.66) HDAC1AURKB

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-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 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-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 HDAC1 1/4885MEN1 2075/4885GAA 144/4885

“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.