SCHEMBL2977910

SCHEMBL2977910

O=C(NOC1CCCCO1)c1cnc(N2CCc3c(n(Cc4ccccc4)c4ccccc34)C2)nc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 12/20 0.47
HDAC1 Q13547 11/20 0.47
HDAC10 Q969S8 5/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC3 O15379 2/20 0.44
HDAC2 Q92769 2/20 0.44
NCOR2 Q9Y618 2/20 0.44

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
SCHEMBL2971949 0.89 P2RX3 (0.38) HDAC6HDAC1HDAC10HDAC8HDAC3
SCHEMBL2980943 0.89 CNR2 (0.37) HDAC6HDAC1HDAC10HDAC8HDAC3
SCHEMBL2981505 0.86 CREBBP (0.37) HDAC6HDAC1HDAC10HDAC8HDAC3
SCHEMBL2981260 0.83 HDAC6 (0.67) HDAC6HDAC1HDAC10HDAC8HDAC3
SCHEMBL2972921 0.81 HDAC6 (0.42) HDAC6HDAC1
SCHEMBL2975189 0.81 HDAC1 (0.55) HDAC6HDAC1HDAC10HDAC8HDAC3
SCHEMBL2978160 0.80 HDAC1 (0.53) HDAC6HDAC1HDAC10HDAC8HDAC3
SCHEMBL9883577 0.79 HDAC6 (0.55) HDAC6HDAC1HDAC10HDAC8HDAC3
SCHEMBL19168206 0.77 HDAC6 (0.49) HDAC6HDAC1HDAC10HDAC8HDAC3
SCHEMBL15344312 0.75 HDAC1 (0.48) HDAC6HDAC1HDAC3HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772245-B2 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-20060199829-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. 2006-09-07 US 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-20060199829-A1 Inhibitors of histone deacetylase HDAC1, HDAC2, HDAC11 HDAC6 11/4885HDAC1 1/4885HDAC10 8/4885

“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.