SCHEMBL24699977

SCHEMBL24699977

C/C(=N\NC(=O)CC(C)(C)O)c1ncc(OCCCC(=O)O)cn1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ CYP4F2 P78329 2/20 0.35
▸ CYP4A11 Q02928 2/20 0.35
▸ KMT2A Q03164 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ GFER P55789 1/20 0.33
▸ PLA2G4B P0C869 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32

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
SCHEMBL22773536 0.90 LMNA (0.35) LMNAPOLBMAPK1SMN1; SMN2HTT
SCHEMBL22787188 0.90 LMNA (0.35) LMNAPOLBMAPK1SMN1; SMN2HTT
SCHEMBL22773537 0.90 LMNA (0.35) LMNAPOLBMAPK1SMN1; SMN2HTT
SCHEMBL24700024 0.82 KMT2A (0.39) LMNAPOLBMAPK1SMN1; SMN2HTT
SCHEMBL22787130 0.78 LMNA (0.39) LMNAPOLBMAPK1SMN1; SMN2HTT
SCHEMBL29526638 0.78 LMNA (0.39) LMNAPOLBMAPK1SMN1; SMN2HTT
SCHEMBL22787195 0.78 LMNA (0.39) LMNAPOLBMAPK1SMN1; SMN2HTT
SCHEMBL14616550 0.75 MAPT (0.53) LMNAPOLBMAPK1SMN1; SMN2HTT
SCHEMBL22773529 0.73 CYP4F2 (0.43) CYP4F2CYP4A11GAAL3MBTL1PLA2G4B
SCHEMBL17236156 0.73 MAPT (0.50) LMNAPOLBMAPK1SMN1; SMN2HTT

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 1 patent. 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

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 845/4885POLB 1856/4885MAPK1 3790/4885

“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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