SCHEMBL20181479

SCHEMBL20181479

Nc1ccc(-c2ccncc2)cc1NC(=O)c1ccc(N2CCNCC2)nc1

nearest known ligand 0.84

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.84
HDAC2 Q92769 16/20 0.82
HDAC3 O15379 11/20 0.82
HDAC1 Q13547 7/20 0.81
CYP1A2 P05177 1/20 0.66
CYP2C18 P33260 1/20 0.66
CYP2C19 P33261 1/20 0.66

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
SCHEMBL20181480 0.91 KCNH2 (1.00) KCNH2HDAC2HDAC3HDAC1
SCHEMBL20181631 0.90 HDAC2 (1.00) KCNH2HDAC2HDAC3HDAC1
SCHEMBL20181663 0.90 HDAC2 (1.00) KCNH2HDAC2HDAC3HDAC1
SCHEMBL20181500 0.88 HDAC2 (0.84) KCNH2HDAC2HDAC3HDAC1CYP1A2
SCHEMBL20181692 0.87 HDAC2 (1.00) KCNH2HDAC2HDAC3HDAC1
SCHEMBL20181513 0.87 HDAC2 (1.00) KCNH2HDAC2HDAC3HDAC1CYP1A2
SCHEMBL20181478 0.86 HDAC2 (0.67) KCNH2HDAC2HDAC3HDAC1CYP1A2
SCHEMBL20181476 0.86 HDAC2 (0.80) KCNH2HDAC2HDAC3HDAC1
SCHEMBL20181470 0.86 HDAC2 (1.00) KCNH2HDAC2HDAC3HDAC1
SCHEMBL20181530 0.86 HDAC2 (1.00) KCNH2HDAC2HDAC3HDAC1

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-11542242-B2 Substituted piperazines as selective HDAC1,2 inhibitors REGENACY PHARMACEUTICALS, LLC (US) 2023-01-03 US disclosed
US-20200377465-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS REGENACY PHARMACEUTICALS, LLC 2020-12-03 US disclosed
US-10774056-B2 Substituted piperazines as selective HDAC1,2 inhibitors REGENACY PHARMACEUTICALS, INC. (US) 2020-09-15 US disclosed
US-20190330169-A1 SELECTIVE HDAC1,2 INHIBITORS REGENACY PHARMACEUTICALS, LLC 2019-10-31 US disclosed
US-10385031-B2 Substituted piperazines as selective HDAC1,2 inhibitors REGENACY PHARMACEUTICALS, LLC (US) 2019-08-20 US disclosed
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 (6 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-10385031-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 KCNH2 3509/4885HDAC2 2/4885HDAC3 7/4885
US-11542242-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 KCNH2 3232/4885HDAC2 2/4885HDAC3 8/4885
US-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 KCNH2 4371/4885HDAC2 2/4885HDAC3 6/4885
US-10774056-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 KCNH2 3225/4885HDAC2 2/4885HDAC3 7/4885
US-20200377465-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 KCNH2 3551/4885HDAC2 2/4885HDAC3 7/4885
US-20190330169-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 KCNH2 4371/4885HDAC2 2/4885HDAC3 6/4885

“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.