SCHEMBL21052221

SCHEMBL21052221

C/C(=N\NC(=O)CC(C)(C)S)c1ccc(OCCC(C(=O)O)N2C(=O)CCC2=O)cc1O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ MAPK1 P28482 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ PPARD Q03181 1/20 0.37
▸ HPGD P15428 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAOB P27338 10/20 0.35
▸ MAOA P21397 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL18037720 0.89 LMNA (0.42) LMNAKDM4EMAPTMAPK1NPSR1
SCHEMBL21098757 0.81 LMNA (0.42) LMNAKDM4EMAPTMAPK1NPSR1
SCHEMBL21052222 0.81 LMNA (0.42) LMNAKDM4EMAPTMAPK1NPSR1
SCHEMBL21098733 0.80 LMNA (0.48) LMNAKDM4EMAPTMAPK1NPSR1
SCHEMBL21052022 0.77 MAPT (0.32) KDM4EMAPTPPARDSMN1; SMN2ALDH1A1
SCHEMBL21052173 0.76 MAPT (0.41) LMNAKDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL21052078 0.72 — —
SCHEMBL22802058 0.71 NPC1 (0.33) MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL17231868 0.68 MAPT (0.42) LMNAMAPTMAPK1NPSR1HPGD
SCHEMBL18037721 0.68 MAPT (0.42) LMNAMAPTMAPK1NPSR1HPGD

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-11576981-B2 Acyl hydrazone linkers, methods and uses thereof ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2023-02-14 — — US disclosed
US-20200397916-A1 ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2020-12-24 — — US disclosed
EP-3720842-A1 ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF Ontario Institute For Cancer Research (CA) 2020-10-14 — — EP disclosed
WO-2019109188-A1 ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2019-06-13 — — 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-20200397916-A1 ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF KAT7, AADAC, HDAC7 LMNA 1423/4885KDM4E 2310/4885MAPT 3413/4885
US-11576981-B2 Acyl hydrazone linkers, methods and uses thereof AADAC, HDAC8, KAT8 LMNA 1010/4885KDM4E 2328/4885MAPT 3082/4885

“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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