SCHEMBL22767494

SCHEMBL22767494

NCCCCN1c2ccccc2C(=O)N(CCc2ccccc2)c2ccc(Cl)cc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.59
▸ ALDH2 P05091 5/20 0.59
▸ ALDH3A1 P30838 5/20 0.59
▸ PARK7 Q99497 5/20 0.50
▸ PKM P14618 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ CA2 P00918 2/20 0.45
▸ CA9 Q16790 2/20 0.45
▸ CA12 O43570 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ HDAC3 O15379 1/20 0.42
▸ TUBB4A P04350 1/20 0.42
▸ TUBB P07437 1/20 0.42
▸ TUBA3C P0DPH7 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ TUBA1B P68363 1/20 0.42
▸ TUBA4A P68366 1/20 0.42
▸ TUBB4B P68371 1/20 0.42
▸ TUBB3 Q13509 1/20 0.42

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
SCHEMBL27089546 0.91 ALDH1A1 (0.55) ALDH1A1ALDH2ALDH3A1CA2CA9
SCHEMBL27089613 0.88 ALDH1A1 (0.60) ALDH1A1ALDH2ALDH3A1PARK7PKM
SCHEMBL22767584 0.87 HDAC3 (0.44) ALDH1A1ALDH2ALDH3A1TDP1HDAC3
SCHEMBL22767650 0.87 HDAC3 (0.44) ALDH1A1ALDH2ALDH3A1HDAC3TUBB4A
SCHEMBL22767620 0.84 ALDH1A1 (0.51) ALDH1A1ALDH2ALDH3A1KDR
SCHEMBL22767610 0.83 HDAC3 (0.42) ALDH1A1ALDH2ALDH3A1TDP1HDAC3
SCHEMBL22748864 0.83 HDAC3 (0.42) ALDH1A1ALDH2ALDH3A1TDP1HDAC3
SCHEMBL22749026 0.83 DRD2 (0.43) ALDH1A1ALDH2ALDH3A1HDAC3TUBB4A
SCHEMBL22767583 0.80 HDAC3 (0.43) ALDH1A1TDP1HDAC3TUBB4ATUBB
SCHEMBL22748212 0.80 HDAC3 (0.43) ALDH1A1TDP1HDAC3TUBB4ATUBB

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 ALDH1A1 2114/4885ALDH2 3773/4885ALDH3A1 2264/4885
US-12403144-B2 HECT E3 ligase inhibitors and uses thereof NEDD4, ITCH, UBE3A ALDH1A1 2114/4885ALDH2 3773/4885ALDH3A1 2264/4885

“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.

Send feedback