SCHEMBL19230849

SCHEMBL19230849

Nc1ccc(-c2ccccc2)cc1NC(=O)c1cc2ccc(N3CCNCC3)cc2cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 1.00
HDAC2 Q92769 15/20 0.79
HDAC3 O15379 13/20 0.79
HDAC1 Q13547 7/20 0.79

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
SCHEMBL19230850 0.92 KCNH2 (0.85) KCNH2HDAC2HDAC3HDAC1
SCHEMBL19230846 0.92 KCNH2 (0.85) KCNH2HDAC2HDAC3HDAC1
SCHEMBL20181648 0.89 HDAC2 (0.83) KCNH2HDAC2HDAC3HDAC1
SCHEMBL15922983 0.89 HDAC3 (1.00) KCNH2HDAC2HDAC3HDAC1
SCHEMBL17572848 0.88 KCNH2 (0.79) KCNH2HDAC2HDAC3HDAC1
SCHEMBL19230842 0.88 KCNH2 (0.78) KCNH2HDAC2HDAC3HDAC1
SCHEMBL19230847 0.87 KCNH2 (0.82) KCNH2HDAC2HDAC3HDAC1
SCHEMBL19230845 0.87 KCNH2 (0.77) KCNH2HDAC2HDAC3HDAC1
SCHEMBL20181723 0.83 KCNH2 (0.71) KCNH2HDAC2HDAC3HDAC1
SCHEMBL20181690 0.83 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023097266-A1 HDAC INHIBITORS FOR USE IN THE TREATMENT OF SUBSTANCE USE DISORDERS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2023-06-01 WO disclosed
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
US-20170240535-A1 HDAC1/2 INHIBITORS FOR THE TREATMENT OF NEURODEGENERATIVE AND/OR COGNITIVE DISORDERS REGENACY PHARMACEUTICALS, LLC 2017-08-24 US disclosed
WO-2017136451-A1 HDAC1/2 INHIBITORS FOR THE TREATMENT OF NEURODEGENERATIVE AND/OR COGNITIVE DISORDERS REGENACY PHARMACEUTICALS, LLC (US) 2017-08-10 WO 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 (7 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
US-20170240535-A1 HDAC1/2 INHIBITORS FOR THE TREATMENT OF NEURODEGENERATIVE AND/OR COGNITIVE DISORDERS HDAC1, HDAC2, HDAC11 KCNH2 4701/4885HDAC2 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.