SCHEMBL31089806

SCHEMBL31089806

CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Oc2ccccc2-c2ccccc2)ccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 4/20 0.45
▸ GCK P35557 2/20 0.42
▸ HDAC4 P56524 4/20 0.41
▸ HDAC1 Q13547 4/20 0.41
▸ HDAC8 Q9BY41 3/20 0.40
▸ CTSS P25774 5/20 0.40
▸ CTSK P43235 5/20 0.40
▸ HDAC3 O15379 2/20 0.40
▸ HDAC7 Q8WUI4 2/20 0.40
▸ HDAC2 Q92769 2/20 0.40
▸ HDAC10 Q969S8 2/20 0.40
▸ HDAC11 Q96DB2 2/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.40
▸ HDAC9 Q9UKV0 2/20 0.40
▸ HDAC5 Q9UQL6 2/20 0.40
▸ PTPN1 P18031 1/20 0.39
▸ RIOK2 Q9BVS4 1/20 0.39
▸ CCKAR P32238 1/20 0.39
▸ CCKBR P32239 1/20 0.39
▸ CTSB P07858 2/20 0.38

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
SCHEMBL31089887 0.84 SCN9A (0.47) SCN9AGCKHDAC4HDAC1HDAC8
SCHEMBL21581664 0.84 SCN9A (0.47) SCN9AGCKHDAC4HDAC1HDAC8
SCHEMBL21581669 0.84 KLK5 (0.37) SCN9AGCKCTSSCTSKPTPN1
SCHEMBL21611229 0.83 SCN9A (0.42) SCN9AHDAC4HDAC1HDAC8CTSS
SCHEMBL21581668 0.82 RIOK2 (0.45) GCKRIOK2
SCHEMBL21580675 0.82 GCK (0.47) GCKRIOK2
SCHEMBL21580672 0.82 GCK (0.47) GCKRIOK2
SCHEMBL21581557 0.81 SCN9A (0.53) SCN9AHDAC4HDAC1HDAC8CTSS
SCHEMBL21581584 0.80 SCN9A (0.42) SCN9AGCKHDAC8CTSSCTSK
SCHEMBL31089761 0.80 SCN9A (0.42) SCN9AGCKHDAC8CTSSCTSK

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 687/4885GCK 1330/4885HDAC4 2422/4885

“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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