SCHEMBL24233451

SCHEMBL24233451

CN1CCN(c2ccc3cc(C(=O)Nc4cc(-c5nccn5C)ccc4NC(=O)OC(C)(C)C)cnc3c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.45
HDAC3 O15379 7/20 0.43
KCNH2 Q12809 3/20 0.43
HPGDS O60760 2/20 0.42
HDAC2 Q92769 5/20 0.41
HDAC1 Q13547 4/20 0.41
EGFR P00533 2/20 0.38
F10 P00742 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C18 P33260 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPK14 Q16539 1/20 0.38
SMO Q99835 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
BTK Q06187 1/20 0.37

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
SCHEMBL29370819 1.00 WDR5 (0.45) WDR5HDAC3KCNH2HPGDSHDAC2
SCHEMBL21835790 0.90 HDAC3 (0.47) WDR5HDAC3KCNH2HPGDSHDAC2
SCHEMBL29368215 0.86 HDAC3 (0.53) WDR5HDAC3KCNH2HDAC2HDAC1
SCHEMBL24233545 0.86 HDAC3 (0.53) WDR5HDAC3KCNH2HDAC2HDAC1
SCHEMBL24233394 0.85 KCNH2 (0.58) WDR5HDAC3KCNH2HDAC2HDAC1
SCHEMBL20181686 0.81 WNT3A (0.45) HDAC3KCNH2HDAC2HDAC1CYP1A2
SCHEMBL20181817 0.79 GBA1 (0.47) HDAC3KCNH2HDAC2HDAC1
SCHEMBL21538675 0.79 HDAC3 (0.56) HDAC3KCNH2HDAC2HDAC1
SCHEMBL20181657 0.78 KCNH2 (0.59) HDAC3KCNH2HDAC2HDAC1
SCHEMBL15924998 0.78 HDAC3 (0.55) HDAC3KCNH2HDAC2HDAC1EGFR

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 2 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

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 WDR5 925/4885HDAC3 6/4885KCNH2 4383/4885
US-20220033388-A1 HDAC1,2 Inhibitors HDAC1, HDAC2, HDAC11 WDR5 925/4885HDAC3 6/4885KCNH2 4383/4885

“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.