SCHEMBL3537538

SCHEMBL3537538

Nc1ccccc1NC(=O)c1ccc(Cn2c(=O)n(C3CCNCC3)c3ncccc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 0.51
OPRD1 P41143 1/20 0.50
KCNH2 Q12809 1/20 0.50
HDAC3 O15379 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 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
SCHEMBL3534216 0.89 HDAC1 (0.56) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL3533938 0.81 HDAC1 (0.56) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL3540140 0.80 HDAC1 (0.58) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL3538368 0.79 HDAC1 (0.53) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL3538371 0.79 HDAC1 (0.53) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL3538275 0.78 HDAC1 (0.74) HDAC1HDAC3HDAC2HDAC6
SCHEMBL3533412 0.78 HDAC1 (0.54) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL3536701 0.78 HDAC1 (0.60) HDAC1HDAC11HDAC8HDAC6
SCHEMBL3536759 0.77 HDAC1 (0.73) HDAC1
SCHEMBL3537722 0.77 HDAC1 (0.63) HDAC1HDAC3HDAC2HDAC11HDAC8

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-20060205941-A1 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. 2006-09-14 US 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
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 1/4885OPRD1 4139/4885KCNH2 4172/4885

“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.