SCHEMBL21098751

SCHEMBL21098751

CC(C)(S)CC(=O)N/N=C1\CCc2cc(OCCCC(=O)ON3C(=O)CCC3=O)ccc21

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
RAB9A P51151 2/20 0.40
BRD4 O60885 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 2/20 0.38
MAOB P27338 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 2/20 0.34
HRH3 Q9Y5N1 1/20 0.34
S1PR1 P21453 1/20 0.34
MEN1 O00255 1/20 0.33
ITGB3 P05106 2/20 0.33
ITGA2B P08514 2/20 0.33
ROCK2 O75116 1/20 0.33
GRK2 P25098 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
SCHEMBL21098749 0.95 SMN1; SMN2 (0.42) MAPTSMN1; SMN2RAB9ABRD4NPC1
SCHEMBL21098752 0.95 SMN1; SMN2 (0.40) MAPTSMN1; SMN2RAB9ABRD4NPC1
SCHEMBL21052174 0.95 SMN1; SMN2 (0.42) MAPTSMN1; SMN2RAB9ABRD4NPC1
SCHEMBL30231974 0.95 SMN1; SMN2 (0.42) MAPTSMN1; SMN2RAB9ABRD4NPC1
SCHEMBL21098680 0.88 SMN1; SMN2 (0.43) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL21098696 0.88 SMN1; SMN2 (0.43) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL22773544 0.87 MAPT (0.37) MAPTSMN1; SMN2RAB9ABRD4NPC1
SCHEMBL22577953 0.87 MAPT (0.37) MAPTSMN1; SMN2RAB9ABRD4NPC1
SCHEMBL23226030 0.87 BRD4 (0.34) MAPTSMN1; SMN2BRD4
SCHEMBL22802051 0.86 BRD4 (0.33) SMN1; SMN2BRD4

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 MAPT 3413/4885SMN1; SMN2 4352/4885RAB9A 4231/4885
US-11576981-B2 Acyl hydrazone linkers, methods and uses thereof AADAC, HDAC8, KAT8 MAPT 3082/4885SMN1; SMN2 3796/4885RAB9A 4143/4885

“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.