SCHEMBL24700024

SCHEMBL24700024

C/C(=N\NC(=O)CC(C)(C)O)c1cnc(OCCCC(=O)O)nc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.39
▸ LMNA P02545 4/20 0.38
▸ POLB P06746 3/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.35
▸ HTT P42858 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MAPT P10636 4/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ PKM P14618 1/20 0.33
▸ NPC1 O15118 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
SCHEMBL22787186 0.90 KMT2A (0.38) KMT2ALMNAPOLBMAPK1ALDH1A1
SCHEMBL22773695 0.90 KMT2A (0.38) KMT2ALMNAPOLBMAPK1ALDH1A1
SCHEMBL22773697 0.90 KMT2A (0.38) KMT2ALMNAPOLBMAPK1ALDH1A1
SCHEMBL24699977 0.82 LMNA (0.35) KMT2ALMNAPOLBMAPK1ALDH1A1
SCHEMBL22787185 0.76 KMT2A (0.41) KMT2ALMNAPOLBMAPK1ALDH1A1
SCHEMBL29526363 0.76 KMT2A (0.41) KMT2ALMNAPOLBMAPK1ALDH1A1
SCHEMBL22773527 0.76 KMT2A (0.41) KMT2ALMNAPOLBMAPK1ALDH1A1
SCHEMBL22773528 0.76 KMT2A (0.41) KMT2ALMNAPOLBMAPK1ALDH1A1
SCHEMBL14616550 0.75 MAPT (0.53) KMT2ALMNAPOLBMAPK1ALDH1A1
SCHEMBL22787194 0.73 HSD17B10 (0.45) ALDH1A1GAA

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 KMT2A 2302/4885LMNA 845/4885POLB 1856/4885

“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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