SCHEMBL20181528

SCHEMBL20181528

CN1CCN(c2cnc(C(=O)Nc3cc(-c4ccc(Nc5ccc(-c6ccoc6)cc5NC(=O)c5ncc(N6CCNCC6)s5)s4)ccc3N)cn2)CC1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 18/20 0.67
HDAC2 Q92769 15/20 0.65
HDAC1 Q13547 2/20 0.53
KCNH2 Q12809 1/20 0.53

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
SCHEMBL21275918 0.91 HDAC3 (0.64) HDAC3HDAC2HDAC1KCNH2
SCHEMBL20181706 0.86 HDAC3 (0.74) HDAC3HDAC2HDAC1KCNH2
SCHEMBL20181694 0.82 HDAC3 (1.00) HDAC3HDAC2HDAC1KCNH2
SCHEMBL20181670 0.81 HDAC2 (1.00) HDAC3HDAC2HDAC1KCNH2
SCHEMBL20181703 0.81 HDAC2 (0.69) HDAC3HDAC2HDAC1KCNH2
SCHEMBL20181531 0.78 HDAC3 (0.74) HDAC3HDAC2HDAC1KCNH2
SCHEMBL21275926 0.77 HDAC3 (0.72) HDAC3HDAC2HDAC1KCNH2
SCHEMBL20181527 0.76 HDAC3 (0.68) HDAC3HDAC2HDAC1KCNH2
SCHEMBL20181845 0.73 KCNH2 (0.66) HDAC3HDAC2HDAC1KCNH2
SCHEMBL20181474 0.72 HDAC2 (0.80) HDAC3HDAC2HDAC1KCNH2

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-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS REGENACY PHARMACEUTICALS, LLC 2018-05-24 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-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 HDAC3 6/4885HDAC2 2/4885HDAC1 1/4885

“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.