SCHEMBL22802058

SCHEMBL22802058

CC(C)(S)CC(=O)N/N=C1/CCCc2cc(OCCC(C(=O)O)N3C(=O)CCC3=O)cc(F)c21

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ MAPT P10636 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ HTT P42858 1/20 0.31
▸ ROCK2 O75116 1/20 0.31
▸ GRK2 P25098 1/20 0.31

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
SCHEMBL21052078 0.95 — —
SCHEMBL21052022 0.91 MAPT (0.32) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL21052173 0.86 MAPT (0.41) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL21052171 0.83 NPC1 (0.36) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL21052172 0.83 NPC1 (0.36) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL21098674 0.83 NPC1 (0.36) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL21098678 0.82 SMN1; SMN2 (0.36) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL22802059 0.82 SMN1; SMN2 (0.36) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL21052032 0.78 FFAR4 (0.35) NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL21098745 0.78 FFAR4 (0.35) NPC1RAB9AMAPTSMN1; 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 2 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

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 4231/4885MAPT 3413/4885
US-11576981-B2 Acyl hydrazone linkers, methods and uses thereof AADAC, HDAC8, KAT8 NPC1 2365/4885RAB9A 4143/4885MAPT 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.

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