SCHEMBL22787133

SCHEMBL22787133

CC(C)(S)CC(=O)N/N=C1/CCCc2nc(OCCCC(=O)ON3C(=O)CCC3=O)ccc21

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 2/20 0.31
HTT P42858 1/20 0.31
ROCK2 O75116 1/20 0.31
GRK2 P25098 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.30

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
SCHEMBL22787139 0.87
SCHEMBL22787136 0.86 LMNA (0.36) LMNAGAAMAPTHTTROCK2
SCHEMBL29814134 0.86 LMNA (0.36) LMNAGAAMAPTHTTROCK2
SCHEMBL22787158 0.86 LMNA (0.36) LMNAGAAMAPTHTTROCK2
SCHEMBL24214414 0.85
SCHEMBL30231974 0.84 SMN1; SMN2 (0.42) LMNAGAAMAPTHTTROCK2
SCHEMBL21098749 0.84 SMN1; SMN2 (0.42) LMNAGAAMAPTHTTROCK2
SCHEMBL21052174 0.84 SMN1; SMN2 (0.42) LMNAGAAMAPTHTTROCK2
SCHEMBL21098752 0.82 SMN1; SMN2 (0.40) LMNAGAAMAPTHTTROCK2
SCHEMBL21098751 0.80 MAPT (0.40) MAPTHTTROCK2GRK2KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220267281-A1 UNSATURATED HETEROCYCLOALKYL AND HETEROAROMATIC ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-08-25 US disclosed
WO-2020248065-A1 UNSATURATED HETEROCYCLOALKYL AND HETEROAROMATIC ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2020-12-17 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 (1 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-20220267281-A1 UNSATURATED HETEROCYCLOALKYL AND HETEROAROMATIC ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF AADAC, ACSL3, ACSL1 LMNA 845/4885GAA 1198/4885MAPT 4186/4885

“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.