SCHEMBL23960888

SCHEMBL23960888

Nc1ccc(-c2cccs2)cc1NC(=O)c1ncc(N2CCNCC2)cn1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 12/20 0.73
KCNH2 Q12809 6/20 0.73
HDAC2 Q92769 11/20 0.67
HDAC1 Q13547 8/20 0.65
NCOR2 Q9Y618 1/20 0.62

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
SCHEMBL20181654 0.90 HDAC3 (0.81) HDAC3KCNH2HDAC2HDAC1NCOR2
SCHEMBL23960885 0.90 HDAC3 (0.81) HDAC3KCNH2HDAC2HDAC1
SCHEMBL4578698 0.85 KCNH2 (0.75) HDAC3KCNH2HDAC2HDAC1NCOR2
SCHEMBL23960940 0.85 HDAC2 (0.70) HDAC3KCNH2HDAC2HDAC1
SCHEMBL20181659 0.84 HDAC3 (1.00) HDAC3KCNH2HDAC2HDAC1NCOR2
SCHEMBL20181502 0.84 HDAC3 (1.00) HDAC3KCNH2HDAC2HDAC1NCOR2
SCHEMBL20181820 0.83 HDAC3 (0.70) HDAC3KCNH2HDAC2HDAC1NCOR2
SCHEMBL20181846 0.83 KCNH2 (0.82) HDAC3KCNH2HDAC2HDAC1NCOR2
SCHEMBL20181475 0.83 KCNH2 (1.00) HDAC3KCNH2HDAC2HDAC1NCOR2
SCHEMBL19230845 0.83 KCNH2 (0.77) HDAC3KCNH2HDAC2HDAC1NCOR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210332036-A1 PYRIMIDINE AND PYRAZINE HDAC1,2 INHIBITORS REGENACY PHARMACEUTICALS LLC (US) 2021-10-28 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-20210332036-A1 PYRIMIDINE AND PYRAZINE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 HDAC3 7/4885KCNH2 3888/4885HDAC2 2/4885

“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.