SCHEMBL3534436

SCHEMBL3534436

Nc1ccccc1NC(=O)c1ccc(Cn2c(=S)[nH]c3ccccc32)cc1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.64
APOBEC3G Q9HC16 1/20 0.54
MPO P05164 1/20 0.51
HDAC2 Q92769 1/20 0.51
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL3534349 0.88 HDAC1 (0.56) HDAC1HDAC2
SCHEMBL3539983 0.88 HDAC1 (0.56) HDAC1HDAC2
SCHEMBL3536652 0.88 HDAC1 (0.58) HDAC1HDAC2
SCHEMBL3534975 0.88 HDAC1 (0.56) HDAC1HDAC2
SCHEMBL3542874 0.88 HDAC1 (0.56) HDAC1HDAC2
SCHEMBL3538280 0.88 HDAC2 (0.56) HDAC1HDAC2
SCHEMBL3537118 0.88 HDAC1 (0.78) HDAC1HDAC2
SCHEMBL3540588 0.85 HDAC1 (0.55) HDAC1HDAC2
SCHEMBL3532994 0.85 HDAC1 (0.55) HDAC1HDAC2
SCHEMBL3538258 0.85 HDAC1 (0.60) HDAC1HDAC2

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 11 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-7642275-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-01-05 US disclosed
EP-1824831-A2 HISTONE DEACETYLASE INHIBITORS Takeda San Diego, Inc. (US) 2007-08-29 EP 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
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 1/4885APOBEC3G 2994/4885MPO 414/4885

“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.