SCHEMBL21098757

SCHEMBL21098757

C/C(=N\NC(=O)CC(C)(C)S)c1ccc(OCCCC(=O)ON2C(=O)CCC2=O)cc1O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAOB P27338 13/20 0.37
▸ PPARD Q03181 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MAOA P21397 1/20 0.34

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
SCHEMBL21052222 1.00 LMNA (0.42) LMNAKDM4EMAPTSMN1; SMN2HPGD
SCHEMBL12679101 0.88 MAPT (0.42) LMNAMAPTSMN1; SMN2HPGDALDH1A1
SCHEMBL17231868 0.88 MAPT (0.42) LMNAMAPTSMN1; SMN2HPGDALDH1A1
SCHEMBL18037721 0.88 MAPT (0.42) LMNAMAPTSMN1; SMN2HPGDALDH1A1
SCHEMBL22787137 0.84 LMNA (0.34) LMNAKDM4EMAPTSMN1; SMN2HPGD
SCHEMBL21098733 0.83 LMNA (0.48) LMNAKDM4EMAPTSMN1; SMN2HPGD
SCHEMBL22787189 0.83 — —
SCHEMBL16693695 0.82 MAPT (0.39) LMNAMAPTSMN1; SMN2HPGDALDH1A1
SCHEMBL21052221 0.81 LMNA (0.42) LMNAKDM4EMAPTSMN1; SMN2HPGD
SCHEMBL14616553 0.81 MAPT (0.44) LMNAKDM4EMAPTSMN1; SMN2HPGD

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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