SCHEMBL1079299

SCHEMBL1079299

Nc1ccccc1NC(=O)c1ccc(C(S)c2cccc3cccnc23)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.69
MAPT P10636 2/20 0.57
TP53 P04637 1/20 0.57
KDR P35968 4/20 0.55
HDAC2 Q92769 5/20 0.55
HDAC6 Q9UBN7 1/20 0.53
TDP1 Q9NUW8 1/20 0.52
GAA P10253 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
POLB P06746 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 1/20 0.49
HDAC3 O15379 4/20 0.47
MAPK1 P28482 1/20 0.47
NCOR2 Q9Y618 2/20 0.47
NPC1 O15118 1/20 0.47
CASP3 P42574 1/20 0.47
RAB9A P51151 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47

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
SCHEMBL2108918 0.82 HDAC1 (1.00) HDAC1MAPTTP53KDRHDAC2
SCHEMBL3560642 0.80 HDAC1 (0.56) HDAC1HDAC2HDAC6HDAC3MAPK1
SCHEMBL1066740 0.75 HDAC1 (0.56) HDAC1HDAC2HDAC6HDAC3MAPK1
SCHEMBL1064816 0.75 HDAC1 (0.50) HDAC1HDAC2HDAC6HDAC3MAPK1
SCHEMBL15093487 0.74 HDAC6 (0.77) HDAC1MAPTTP53KDRHDAC6
SCHEMBL1079301 0.74 MAPT (0.72) HDAC1MAPTKDRHDAC2HDAC6
SCHEMBL1063032 0.74 HDAC1 (0.61) HDAC1HDAC2HDAC6HDAC3MAPK1
SCHEMBL5584418 0.73 HDAC1 (0.68) HDAC1KDRHDAC2HDAC6HDAC3
SCHEMBL1062264 0.73 HDAC1 (0.60) HDAC1HDAC2HDAC6HDAC3MAPK1
SCHEMBL1064065 0.73 HDAC1 (0.60) HDAC1HDAC2HDAC6HDAC3MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 US disclosed
US-20060058298-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2006-03-16 US disclosed
US-20050288282-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2005-12-29 US disclosed
US-6897220-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2005-05-24 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-20050288282-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885MAPT 2110/4885TP53 575/4885
US-20060058298-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885MAPT 2110/4885TP53 575/4885

“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.