SCHEMBL3537830

SCHEMBL3537830

N#Cc1ccc2[nH]c(=S)n(Cc3ccc(C(=O)Nc4ccccc4N)cc3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.53
HDAC2 Q92769 2/20 0.44
AR P10275 1/20 0.44
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 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
SCHEMBL3539366 0.93 HDAC1 (0.53) HDAC1HDAC2AR
SCHEMBL3532226 0.90 HDAC1 (0.64) HDAC1HDAC2HDAC8HDAC6
SCHEMBL3539983 0.86 HDAC1 (0.56) HDAC1HDAC2
SCHEMBL3538280 0.86 HDAC2 (0.56) HDAC1HDAC2HDAC8HDAC6
SCHEMBL3534436 0.85 HDAC1 (0.64) HDAC1HDAC2
SCHEMBL3542409 0.83 HDAC1 (0.64) HDAC1HDAC2HDAC8HDAC6
SCHEMBL3534349 0.80 HDAC1 (0.56) HDAC1HDAC2
SCHEMBL3536652 0.80 HDAC1 (0.58) HDAC1HDAC2
SCHEMBL3542874 0.80 HDAC1 (0.56) HDAC1HDAC2HDAC8HDAC6
SCHEMBL3537402 0.79 HDAC1 (0.66) HDAC1ARHDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642275-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-01-05 US claimed
EP-1824831-A2 HISTONE DEACETYLASE INHIBITORS Takeda San Diego, Inc. (US) 2007-08-29 EP claimed
US-20060205941-A1 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. 2006-09-14 US claimed
WO-2006066133-A2 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-06-22 WO claimed
US-7642275-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-01-05 US disclosed
US-7642275-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-01-05 US disclosed
US-20060205941-A1 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. 2006-09-14 US disclosed
WO-2006066133-A2 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-06-22 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-20060205941-A1 Histone deacetylase inhibitors HDAC1, HDAC3, HDAC5 HDAC1 1/4885HDAC2 4/4885AR 897/4885

“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.