SCHEMBL21098733

SCHEMBL21098733

C/C(=N\NC(=O)CC(C)(C)S)c1ccc(OCCCC(=O)O)cc1O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ MAPT P10636 3/20 0.48
▸ PPARD Q03181 1/20 0.48
▸ HPGD P15428 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ MAPK1 P28482 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ MAOB P27338 6/20 0.40
▸ ESR1 P03372 1/20 0.39
▸ CYSLTR2 Q9NS75 1/20 0.39
▸ CYSLTR1 Q9Y271 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL16687019 0.85 MAPT (0.50) LMNAKDM4EMAPTHPGDSMN1; SMN2
SCHEMBL12679100 0.85 MAPT (0.50) LMNAKDM4EMAPTHPGDSMN1; SMN2
SCHEMBL17236156 0.85 MAPT (0.50) LMNAKDM4EMAPTHPGDSMN1; SMN2
SCHEMBL21098757 0.83 LMNA (0.42) LMNAKDM4EMAPTPPARDHPGD
SCHEMBL21052222 0.83 LMNA (0.42) LMNAKDM4EMAPTPPARDHPGD
SCHEMBL21098734 0.82 PPARD (0.53) LMNAKDM4EMAPTPPARDHPGD
SCHEMBL22787130 0.81 LMNA (0.39) LMNAKDM4ESMN1; SMN2ALDH1A1MAPK1
SCHEMBL22787195 0.81 LMNA (0.39) LMNAKDM4ESMN1; SMN2ALDH1A1MAPK1
SCHEMBL29526638 0.81 LMNA (0.39) LMNAKDM4ESMN1; SMN2ALDH1A1MAPK1
SCHEMBL22787188 0.80 LMNA (0.35) LMNAMAPTSMN1; SMN2ALDH1A1MAPK1

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 3 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
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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