SCHEMBL22748926

SCHEMBL22748926

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ HTR2A P28223 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ RECQL P46063 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ GMNN O75496 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ ABCB11 O95342 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ ADRB2 P07550 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ ADRA2A P08913 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ MAPT P10636 1/20 0.43

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
SCHEMBL22748212 0.96 HDAC3 (0.43) MEN1KMT2AALDH1A1HTR2ANPC1
SCHEMBL22767496 0.95 KDM4E (0.44) MEN1KMT2AALDH1A1HTR2ANPC1
SCHEMBL22748864 0.93 HDAC3 (0.42) MEN1KMT2AALDH1A1HTR2ANPC1
SCHEMBL22767583 0.92 HDAC3 (0.43) MEN1KMT2AALDH1A1HTR2ANPC1
SCHEMBL22767584 0.90 HDAC3 (0.44) MEN1KMT2AALDH1A1HTR2ANPC1
SCHEMBL22767610 0.88 HDAC3 (0.42) MEN1KMT2AALDH1A1HTR2ANPC1
SCHEMBL22767651 0.86 TP53 (0.39) MEN1KMT2AALDH1A1HTR2ANPC1
SCHEMBL22748547 0.85 HTR2A (0.41) MEN1KMT2AHTR2ALMNARAB9A
SCHEMBL22767650 0.85 HDAC3 (0.44) ALDH1A1HDAC3TUBB4ATUBBTUBA3C
SCHEMBL22767620 0.82 ALDH1A1 (0.51) ALDH1A1ALDH2ALDH3A1

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 6 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
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 MEN1 3981/4885KMT2A 735/4885ALDH1A1 2114/4885
US-12403144-B2 HECT E3 ligase inhibitors and uses thereof NEDD4, ITCH, UBE3A MEN1 3981/4885KMT2A 735/4885ALDH1A1 2114/4885

“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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