SCHEMBL21835786

SCHEMBL21835786

CN(C)CCNc1ccc2cc(C(=O)NN(C(=O)O)c3ccc(-c4cccs4)cc3)cnc2c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 4/20 0.54
ATM Q13315 1/20 0.42
MAOB P27338 1/20 0.41
FYN P06241 2/20 0.40
HDAC1 Q13547 2/20 0.40
CAMK2D Q13557 1/20 0.40
HDAC3 O15379 1/20 0.40
RAD52 P43351 2/20 0.38
BRAF P15056 1/20 0.37
TNIK Q9UKE5 1/20 0.35
HPGDS O60760 1/20 0.35
NOX1 Q9Y5S8 1/20 0.35
GRIN2B Q13224 1/20 0.35
CDC7 O00311 1/20 0.34
CDK19 Q9BWU1 1/20 0.34

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
SCHEMBL21835805 0.90 HDAC2 (0.49) HDAC2HDAC1HDAC3BRAFHPGDS
SCHEMBL21835778 0.88 HDAC2 (0.69) HDAC2ATMMAOBFYNHDAC1
SCHEMBL21835781 0.83 HDAC2 (0.58) HDAC2MAOBHDAC1HDAC3BRAF
SCHEMBL21835785 0.83 HDAC2 (0.62) HDAC2ATMHDAC1HDAC3
SCHEMBL24233417 0.82 HDAC2 (0.77) HDAC2HDAC1HDAC3
SCHEMBL29368423 0.78 HDAC2 (0.58) HDAC2ATMMAOBHDAC1HDAC3
SCHEMBL24233416 0.78 HDAC2 (0.58) HDAC2ATMMAOBHDAC1HDAC3
SCHEMBL21835799 0.76 MGAM (0.47) HDAC2MAOBHPGDS
SCHEMBL4580709 0.72 TDP1 (0.51) HDAC2HDAC1HDAC3HPGDS
SCHEMBL21835804 0.72 HDAC1 (0.59) HDAC2HDAC1HDAC3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858919-B2 HDAC1,2 inhibitors REGENACY PHARMACEUTICALS, INC. (US) 2024-01-02 US disclosed
US-20220033388-A1 HDAC1,2 Inhibitors REGENACY PHARMACEUTICALS, LLC 2022-02-03 US disclosed
EP-3856174-A1 HDAC1,2 INHIBITORS Regenacy Pharmaceuticals, Inc. (US) 2021-08-04 EP disclosed
WO-2020068950-A1 HDAC1,2 INHIBITORS REGENACY PHARMACEUTICALS, LLC (US) 2020-04-02 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 (2 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-11858919-B2 HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 HDAC2 2/4885ATM 2039/4885MAOB 2942/4885
US-20220033388-A1 HDAC1,2 Inhibitors HDAC1, HDAC2, HDAC11 HDAC2 2/4885ATM 2039/4885MAOB 2942/4885

“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.