SCHEMBL20181672

SCHEMBL20181672

CN1CCN(c2ccc(C(=O)Nc3cc(-c4ccncc4)ccc3N)nc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 1.00
CYP1A2 P05177 2/20 1.00
CYP2C18 P33260 2/20 1.00
CYP2C19 P33261 2/20 1.00
HDAC2 Q92769 10/20 0.83
HDAC3 O15379 9/20 0.83
HDAC1 Q13547 3/20 0.61
WDR5 P61964 3/20 0.55
AURKA O14965 1/20 0.52
TTK P33981 1/20 0.52
AURKB Q96GD4 1/20 0.52
INCENP Q9NQS7 1/20 0.52

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
SCHEMBL20181636 0.91 HDAC2 (1.00) KCNH2CYP1A2CYP2C18CYP2C19HDAC2
SCHEMBL20181658 0.88 HDAC2 (0.82) KCNH2CYP1A2CYP2C18CYP2C19HDAC2
SCHEMBL8077870 0.87 CYP1A2 (0.76) KCNH2CYP1A2CYP2C18CYP2C19HDAC2
SCHEMBL20181491 0.85 HDAC3 (1.00) KCNH2CYP1A2CYP2C18CYP2C19HDAC2
SCHEMBL20181533 0.85 HDAC2 (1.00) KCNH2CYP1A2CYP2C18CYP2C19HDAC2
SCHEMBL23960960 0.84 HDAC3 (0.73) KCNH2CYP1A2CYP2C18CYP2C19HDAC2
SCHEMBL20181522 0.83 HDAC2 (1.00) KCNH2CYP1A2CYP2C18CYP2C19HDAC2
SCHEMBL20181681 0.82 KCNH2 (0.70) KCNH2CYP1A2CYP2C18CYP2C19HDAC2
SCHEMBL20181500 0.81 HDAC2 (0.84) KCNH2CYP1A2CYP2C18CYP2C19HDAC2
SCHEMBL23960892 0.80 HDAC3 (0.82) KCNH2CYP1A2CYP2C18CYP2C19HDAC2

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 3509/4885CYP1A2 1862/4885CYP2C18 3110/4885
US-11542242-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 KCNH2 3232/4885CYP1A2 1585/4885CYP2C18 2679/4885
US-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 KCNH2 4371/4885CYP1A2 3062/4885CYP2C18 3611/4885
US-10774056-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 KCNH2 3225/4885CYP1A2 2182/4885CYP2C18 3386/4885
US-20200377465-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 KCNH2 3551/4885CYP1A2 2376/4885CYP2C18 3310/4885
US-20190330169-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 KCNH2 4371/4885CYP1A2 3062/4885CYP2C18 3611/4885

“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.