SCHEMBL23960914

SCHEMBL23960914

Nc1cc(F)c(-c2cccs2)cc1NC(=O)c1ccc(N2CCNCC2)cn1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 16/20 0.60
HDAC2 Q92769 9/20 0.60
KCNH2 Q12809 5/20 0.60
HDAC1 Q13547 4/20 0.55
CHEK1 O14757 1/20 0.47
NCOR2 Q9Y618 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
SCHEMBL20181654 0.85 HDAC3 (0.81) HDAC3HDAC2KCNH2HDAC1NCOR2
SCHEMBL23960905 0.75 HDAC3 (0.73) HDAC3HDAC2KCNH2HDAC1
SCHEMBL19230845 0.75 KCNH2 (0.77) HDAC3HDAC2KCNH2HDAC1NCOR2
SCHEMBL20181492 0.75 HDAC3 (1.00) HDAC3HDAC2KCNH2HDAC1
SCHEMBL20181491 0.75 HDAC3 (1.00) HDAC3HDAC2KCNH2HDAC1
SCHEMBL23960888 0.75 HDAC3 (0.73) HDAC3HDAC2KCNH2HDAC1NCOR2
SCHEMBL20181643 0.74 HDAC3 (0.87) HDAC3HDAC2KCNH2HDAC1
SCHEMBL23961018 0.74 HDAC3 (0.51) HDAC3HDAC2KCNH2HDAC1
SCHEMBL20181502 0.74 HDAC3 (1.00) HDAC3HDAC2KCNH2HDAC1NCOR2
SCHEMBL20181648 0.74 HDAC2 (0.83) HDAC3HDAC2KCNH2HDAC1

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 7/4885HDAC2 2/4885KCNH2 3888/4885

“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.