SCHEMBL21098674

SCHEMBL21098674

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 4/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
FFAR4 Q5NUL3 4/20 0.34
FFAR1 O14842 4/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 2/20 0.34
GAA P10253 2/20 0.34
GRK2 P25098 2/20 0.34
ROCK2 O75116 1/20 0.34
RECQL P46063 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL21052172 1.00 NPC1 (0.36) NPC1RAB9AKDM4EPOLBMAPT
SCHEMBL21052171 1.00 NPC1 (0.36) NPC1RAB9AKDM4EPOLBMAPT
SCHEMBL21098745 0.94 FFAR4 (0.35) NPC1RAB9AMAPTFFAR4FFAR1
SCHEMBL21052032 0.94 FFAR4 (0.35) NPC1RAB9AMAPTFFAR4FFAR1
SCHEMBL21098748 0.90 KDM4E (0.36) KDM4EPOLBMAPTKMT2AMEN1
SCHEMBL21098678 0.87 SMN1; SMN2 (0.36) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL22802059 0.87 SMN1; SMN2 (0.36) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL21098760 0.84 KDM4E (0.41) NPC1RAB9AKDM4EPOLBFFAR4
SCHEMBL21052021 0.84 CNR1 (0.34) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL22802046 0.84 MAPT (0.46) NPC1RAB9AKDM4EPOLBMAPT

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 NPC1 3216/4885RAB9A 4231/4885KDM4E 2310/4885
US-11576981-B2 Acyl hydrazone linkers, methods and uses thereof AADAC, HDAC8, KAT8 NPC1 2365/4885RAB9A 4143/4885KDM4E 2328/4885

“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.