SCHEMBL31089695

SCHEMBL31089695

CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(Oc2cccc(C)c2OC)n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 5/20 0.47
▸ CTSS P25774 4/20 0.40
▸ CTSK P43235 4/20 0.40
▸ HDAC4 P56524 5/20 0.37
▸ HDAC1 Q13547 5/20 0.37
▸ HDAC3 O15379 3/20 0.37
▸ HDAC7 Q8WUI4 3/20 0.37
▸ HDAC2 Q92769 3/20 0.37
▸ HDAC10 Q969S8 3/20 0.37
▸ HDAC11 Q96DB2 3/20 0.37
▸ HDAC8 Q9BY41 3/20 0.37
▸ HDAC6 Q9UBN7 3/20 0.37
▸ HDAC9 Q9UKV0 3/20 0.37
▸ HDAC5 Q9UQL6 3/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MAPK8 P45983 1/20 0.34
▸ CTSL P07711 1/20 0.34

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
SCHEMBL21581607 0.86 SCN9A (0.50) SCN9ACTSSCTSKMAPTSMN1; SMN2
SCHEMBL31089812 0.84 SCN9A (0.48) SCN9ACTSSCTSKHDAC4HDAC1
SCHEMBL21581618 0.84 SCN9A (0.48) SCN9ACTSSCTSKHDAC4HDAC1
SCHEMBL31089903 0.84 SCN9A (0.48) SCN9ACTSSCTSKHDAC4HDAC1
SCHEMBL21581600 0.84 SCN9A (0.55) SCN9ACTSSCTSKHDAC8CTSL
SCHEMBL21581557 0.83 SCN9A (0.53) SCN9ACTSSCTSKHDAC4HDAC1
SCHEMBL21581680 0.83 SCN9A (0.36) SCN9ACTSSCTSKTSHR
SCHEMBL31089836 0.82 SCN9A (0.49) SCN9ACTSSCTSKHDAC4HDAC1
SCHEMBL21581621 0.82 SCN9A (0.47) SCN9ACTSSCTSKHDAC4HDAC1
SCHEMBL21581681 0.81 NPC1 (0.40) SCN9AMAPT

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-12090146-B2 Substituted-pyridinyl compounds and uses thereof BIONOMICS LIMITED (AU) 2024-09-17 — — US disclosed
EP-3853216-B1 3-[2-(PHENOXY)-4-PYRIDYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES FOR THE TREATMENT OF COGNITIVE DYSFUNCTION AND CNS DISORDERS BIONOMICS LTD (AU) 2024-09-11 — — EP 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 (1 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-12090146-B2 Substituted-pyridinyl compounds and uses thereof GABRE, GAP43, GRIN2A SCN9A 687/4885CTSS 3248/4885CTSK 3105/4885

“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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