SCHEMBL21098749

SCHEMBL21098749

CC(C)(S)CC(=O)N/N=C1\CCCc2cc(OCCCC(=O)ON3C(=O)CCC3=O)ccc21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.42
MAPT P10636 6/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 3/20 0.39
LMNA P02545 2/20 0.39
GRK2 P25098 3/20 0.38
ROCK2 O75116 2/20 0.38
BRD4 O60885 1/20 0.37
POLB P06746 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL21052174 1.00 SMN1; SMN2 (0.42) SMN1; SMN2MAPTHTTKMT2AMEN1
SCHEMBL30231974 1.00 SMN1; SMN2 (0.42) SMN1; SMN2MAPTHTTKMT2AMEN1
SCHEMBL21098752 0.98 SMN1; SMN2 (0.40) SMN1; SMN2MAPTHTTKMT2AMEN1
SCHEMBL21098751 0.95 MAPT (0.40) SMN1; SMN2MAPTHTTKMT2AMEN1
SCHEMBL21098680 0.93 SMN1; SMN2 (0.43) SMN1; SMN2MAPTHTTKMT2AMEN1
SCHEMBL21098696 0.93 SMN1; SMN2 (0.43) SMN1; SMN2MAPTHTTKMT2AMEN1
SCHEMBL23226132 0.87 BRD4 (0.33) SMN1; SMN2MAPTHTTKMT2AMEN1
SCHEMBL21098750 0.87 SMN1; SMN2 (0.37) SMN1; SMN2MAPTHTTKMT2AMEN1
SCHEMBL21052024 0.87 SMN1; SMN2 (0.37) SMN1; SMN2MAPTHTTKMT2AMEN1
SCHEMBL22802047 0.86 MAPT (0.46) SMN1; SMN2MAPTHTTKMT2AMEN1

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 SMN1; SMN2 4352/4885MAPT 3413/4885HTT 1430/4885
US-11576981-B2 Acyl hydrazone linkers, methods and uses thereof AADAC, HDAC8, KAT8 SMN1; SMN2 3796/4885MAPT 3082/4885HTT 1574/4885

“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.