SCHEMBL21098677

SCHEMBL21098677

CC(C)(S)CC(=O)N/N=C1\CCCc2cc(OCCOCCOCCOCCOCCC(=O)O)ccc21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.42
GRK2 P25098 5/20 0.41
ROCK2 O75116 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL22802050 1.00 MAPT (0.44) MAPTHTTKMT2AMEN1GRK2
SCHEMBL21098675 1.00 MAPT (0.44) MAPTHTTKMT2AMEN1GRK2
SCHEMBL21052423 1.00 MAPT (0.44) MAPTHTTKMT2AMEN1GRK2
SCHEMBL22802046 0.92 MAPT (0.46) MAPTHTTKMT2AMEN1GRK2
SCHEMBL21098730 0.92 MAPT (0.46) MAPTHTTKMT2AMEN1GRK2
SCHEMBL22802047 0.92 MAPT (0.46) MAPTHTTKMT2AMEN1GRK2
SCHEMBL21052015 0.90 MAPT (0.44) MAPTHTTKMT2AMEN1GRK2
SCHEMBL21098753 0.90 MAPT (0.44) MAPTHTTKMT2AMEN1GRK2
SCHEMBL21052018 0.90 MAPT (0.44) MAPTHTTKMT2AMEN1GRK2
SCHEMBL21052072 0.86 MAPT (0.47) MAPTHTTKMT2AMEN1SMN1; SMN2

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 3413/4885HTT 1430/4885KMT2A 1440/4885
US-11576981-B2 Acyl hydrazone linkers, methods and uses thereof AADAC, HDAC8, KAT8 MAPT 3082/4885HTT 1574/4885KMT2A 1433/4885

“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.