SCHEMBL3537778

SCHEMBL3537778

Nc1ccccc1NC(=O)c1ccc(Cn2cnc3ccccc32)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.56
HDAC2 Q92769 7/20 0.51
HSD17B13 Q7Z5P4 6/20 0.50
HDAC6 Q9UBN7 4/20 0.50
PPARG P37231 2/20 0.49
HDAC3 O15379 3/20 0.49
HDAC4 P56524 3/20 0.49
HDAC7 Q8WUI4 3/20 0.49
HDAC10 Q969S8 3/20 0.49
HDAC11 Q96DB2 3/20 0.49
HDAC8 Q9BY41 3/20 0.49
HDAC9 Q9UKV0 3/20 0.49
HDAC5 Q9UQL6 3/20 0.49
NCOR2 Q9Y618 2/20 0.47
IDO1 P14902 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL3533650 0.89 HDAC1 (0.55) HDAC1HDAC2HSD17B13HDAC6PPARG
SCHEMBL3534949 0.88 HDAC1 (0.54) HDAC1HDAC2HDAC6PPARGHDAC3
SCHEMBL3531251 0.85 HDAC1 (0.52) HDAC1HDAC2HSD17B13HDAC6PPARG
SCHEMBL3539977 0.85 HDAC1 (0.75) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL3541691 0.76 HDAC1 (0.62) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL3534119 0.74 HDAC1 (0.52) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL3533816 0.74 HDAC1 (0.54) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL20715687 0.73 CYP11B1 (0.66) PPARG
SCHEMBL28996363 0.72 CYP11B1 (0.67) HDAC1HDAC6
SCHEMBL1065031 0.72 HDAC1 (1.00) HDAC1HDAC2HDAC6HDAC3HDAC4

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 1/4885HDAC2 4/4885HSD17B13 459/4885

“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.