SCHEMBL210434

SCHEMBL210434

Nc1ccccc1NC(=O)c1ccc(CSc2nc3ccc(-c4ccc(C(=O)Nc5ccccc5N)cc4)cc3s2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.80
MAPT P10636 3/20 0.59
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
HTT P42858 1/20 0.59
HDAC3 O15379 2/20 0.54
NCOR1 O75376 2/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC4 P56524 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
PKM P14618 1/20 0.54
CTDSP1 Q9GZU7 1/20 0.54
LMNA P02545 1/20 0.54
NPC1 O15118 1/20 0.53

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
SCHEMBL210659 0.90 HDAC1 (0.80) HDAC1MAPTKDM4EALDH1A1HTT
SCHEMBL2733018 0.90 HDAC1 (0.79) HDAC1MAPTKDM4EALDH1A1HTT
SCHEMBL1060973 0.89 HDAC1 (1.00) HDAC1MAPTKDM4EALDH1A1HTT
SCHEMBL211356 0.83 HDAC1 (0.69) HDAC1MAPTPKMCTDSP1LMNA
SCHEMBL209426 0.83 HDAC1 (0.68) HDAC1MAPTKDM4EALDH1A1HTT
SCHEMBL1066177 0.82 HDAC1 (1.00) HDAC1MAPTKDM4EALDH1A1HTT
SCHEMBL1062991 0.81 HDAC1 (1.00) HDAC1MAPTHDAC3NCOR1HDAC2
SCHEMBL1066751 0.79 HDAC1 (1.00) HDAC1MAPTALDH1A1PKMCTDSP1
SCHEMBL211323 0.77 HDAC1 (0.85) HDAC1MAPTALDH1A1PKMCTDSP1
SCHEMBL1062267 0.73 HDAC1 (0.72) HDAC1MAPTALDH1A1HDAC3NCOR1

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-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
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 (2 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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 HDAC1 1/4885MAPT 3612/4885KDM4E 258/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 HDAC1 1/4885MAPT 3905/4885KDM4E 337/4885

“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.