SCHEMBL21098748

SCHEMBL21098748

CC(C)(S)CC(=O)N/N=C1\CCCc2cc(OCCCC(=O)O)cc(O)c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 4/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
HTT P42858 1/20 0.35
GRK2 P25098 2/20 0.34
LMNA P02545 2/20 0.34
GAA P10253 2/20 0.34
ROCK2 O75116 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
CNR1 P21554 3/20 0.33
CNR2 P34972 3/20 0.33
ESR1 P03372 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 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
SCHEMBL21052025 0.94 CNR1 (0.34) MAPTSMN1; SMN2CNR1CNR2ESR1
SCHEMBL21052021 0.94 CNR1 (0.34) MAPTSMN1; SMN2CNR1CNR2ESR1
SCHEMBL21098674 0.90 NPC1 (0.36) KDM4EPOLBMAPTKMT2AMEN1
SCHEMBL21052172 0.90 NPC1 (0.36) KDM4EPOLBMAPTKMT2AMEN1
SCHEMBL21052171 0.90 NPC1 (0.36) KDM4EPOLBMAPTKMT2AMEN1
SCHEMBL21098750 0.86 SMN1; SMN2 (0.37) KDM4EPOLBMAPTKMT2AMEN1
SCHEMBL21052024 0.86 SMN1; SMN2 (0.37) KDM4EPOLBMAPTKMT2AMEN1
SCHEMBL22802046 0.85 MAPT (0.46) KDM4EPOLBMAPTKMT2AMEN1
SCHEMBL21098730 0.85 MAPT (0.46) KDM4EPOLBMAPTKMT2AMEN1
SCHEMBL22802047 0.85 MAPT (0.46) KDM4EPOLBMAPTKMT2AMEN1

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 KDM4E 2310/4885POLB 1375/4885MAPT 3413/4885
US-11576981-B2 Acyl hydrazone linkers, methods and uses thereof AADAC, HDAC8, KAT8 KDM4E 2328/4885POLB 1549/4885MAPT 3082/4885

“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.