SCHEMBL25174705

SCHEMBL25174705

O=C(O)N1CC2(C1)CN(S(=O)(=O)n1ccnc1)C2

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.30
▸ USP2 O75604 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ TSHR P16473 1/20 0.30

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
SCHEMBL25657237 0.81 GPR119 (0.39) HTT
SCHEMBL25168185 0.80 HTT (0.39) HTTALDH1A1TP53TSHR
SCHEMBL24981872 0.77 HTT (0.39) HTTTP53TSHR
SCHEMBL1933767 0.74 HTT (0.42) HTTTP53TSHR
SCHEMBL24981892 0.72 HTT (0.35) HTT
SCHEMBL18424056 0.72 NAMPT (0.41) —
SCHEMBL18425142 0.70 HTT (0.38) HTTTP53TSHR
SCHEMBL1157477 0.69 HTT (0.58) HTTALDH1A1HPGDHSD17B10TP53
SCHEMBL6300741 0.69 HTT (0.58) HTTALDH1A1HPGDHSD17B10TP53
SCHEMBL13284444 0.69 HTT (0.46) HTTALDH1A1HPGDTP53TSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230147859-A1 1,3,4-OXADIAZOLE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2023-05-11 — — 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 (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-20230147859-A1 1,3,4-OXADIAZOLE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC6, HDAC1, HDAC2 HTT 93/4885ALDH1A1 500/4885USP2 2042/4885

“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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