SCHEMBL3537871

SCHEMBL3537871

Nc1ccccc1NC(=O)c1ccc(Cn2c(=S)[nH]c3ccccc32)s1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MPO P05164 11/20 0.46
HDAC1 Q13547 4/20 0.44
APOBEC3G Q9HC16 1/20 0.43
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL3536709 0.89 HDAC1 (0.54) HDAC1LMNAHDAC11HDAC8HDAC6
SCHEMBL8264169 0.86 HDAC1 (0.41) HDAC1HDAC11HDAC8HDAC6
SCHEMBL3534436 0.80 HDAC1 (0.64) MPOHDAC1APOBEC3GKDM4E
SCHEMBL3543942 0.78 HDAC1 (0.49) HDAC1HDAC11HDAC8HDAC6
SCHEMBL3543646 0.77 HDAC1 (0.51) HDAC1HDAC11HDAC8HDAC6
SCHEMBL3534490 0.77 HDAC1 (0.57) HDAC1LMNAALDH1A1HDAC11HDAC8
SCHEMBL6075959 0.73 HDAC1 (0.51) HDAC1MAPTHDAC11HDAC8HDAC6
SCHEMBL3556616 0.73 HDAC1 (0.42) HDAC1HDAC11HDAC8HDAC6
SCHEMBL3534119 0.73 HDAC1 (0.52) HDAC1KDM4EHDAC11HDAC8HDAC6
SCHEMBL23997215 0.70 CYP1A2 (0.48) HDAC1KDM4ELMNAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 MPO 414/4885HDAC1 1/4885APOBEC3G 2994/4885

“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.