SCHEMBL22767496

SCHEMBL22767496

NCCCN1c2cc(Cl)ccc2C(=O)N(CCCO)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.44
▸ HDAC3 O15379 4/20 0.41
▸ TUBB4A P04350 4/20 0.41
▸ TUBB P07437 4/20 0.41
▸ TUBA3C P0DPH7 4/20 0.41
▸ HDAC4 P56524 4/20 0.41
▸ TUBA1B P68363 4/20 0.41
▸ TUBA4A P68366 4/20 0.41
▸ TUBB4B P68371 4/20 0.41
▸ TUBB3 Q13509 4/20 0.41
▸ HDAC1 Q13547 4/20 0.41
▸ TUBB2A Q13885 4/20 0.41
▸ TUBB8 Q3ZCM7 4/20 0.41
▸ TUBA3E Q6PEY2 4/20 0.41
▸ TUBA1A Q71U36 4/20 0.41
▸ HDAC7 Q8WUI4 4/20 0.41
▸ HDAC2 Q92769 4/20 0.41
▸ HDAC10 Q969S8 4/20 0.41
▸ HDAC11 Q96DB2 4/20 0.41
▸ TUBA1C Q9BQE3 4/20 0.41

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
SCHEMBL22767583 0.96 HDAC3 (0.43) KDM4EHDAC3TUBB4ATUBBTUBA3C
SCHEMBL22748926 0.95 MEN1 (0.43) KDM4EHDAC3TUBB4ATUBBTUBA3C
SCHEMBL22767610 0.93 HDAC3 (0.42) KDM4EHDAC3TUBB4ATUBBTUBA3C
SCHEMBL22748212 0.92 HDAC3 (0.43) KDM4EHDAC3TUBB4ATUBBTUBA3C
SCHEMBL22767650 0.90 HDAC3 (0.44) HDAC3TUBB4ATUBBTUBA3CHDAC4
SCHEMBL22748864 0.88 HDAC3 (0.42) HDAC3TUBB4ATUBBTUBA3CHDAC4
SCHEMBL22767651 0.86 TP53 (0.39) KDM4EHDAC3TUBB4ATUBBTUBA3C
SCHEMBL22748547 0.85 HTR2A (0.41) KDM4EHDAC3TUBB4ATUBBTUBA3C
SCHEMBL22767584 0.85 HDAC3 (0.44) HDAC3TUBB4ATUBBTUBA3CHDAC4
SCHEMBL22749103 0.81 PIM1 (0.43) KDM4EHDAC3TUBB4ATUBBTUBA3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12403144-B2 HECT E3 ligase inhibitors and uses thereof IFOM —FONDAZIONE ISTITUTO FIRC DI ONCOLOGIA MOLECOLARE (IT) 2025-09-02 — — US disclosed
EP-3976185-B1 HECT E3 LIGASE INHIBITORS AND USES THEREOF IFOM ST FONDAZIONE DI ONCOLOGIA MOLECOLARE ETS (IT) 2024-02-14 — — EP disclosed
US-20220339163-A1 HECT E3 LIGASE INHIBITORS AND USES THEREOF IFOM - FONDAZIONE ISTITUTO FIRC DI ONCOLOGIA MOLECOLARE (IT) 2022-10-27 — — US disclosed
EP-3976185-A1 HECT E3 LIGASE INHIBITORS AND USES THEREOF IFOM - Fondazione Istituto FIRC di Oncologia Molecolare (IT) 2022-04-06 — — EP disclosed
WO-2020245213-A1 HECT E3 LIGASE INHIBITORS AND USES THEREOF IFOM - FONDAZIONE ISTITUTO FIRC DI ONCOLOGIA MOLECOLARE (IT) 2020-12-10 — — 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 (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-20220339163-A1 HECT E3 LIGASE INHIBITORS AND USES THEREOF NEDD4, ITCH, UBE3A KDM4E 481/4885HDAC3 1765/4885TUBB4A 2175/4885
US-12403144-B2 HECT E3 ligase inhibitors and uses thereof NEDD4, ITCH, UBE3A KDM4E 481/4885HDAC3 1765/4885TUBB4A 2175/4885

“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.

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