SCHEMBL32687963

SCHEMBL32687963

CC(=O)N1CCN(c2cccc(-c3cc(=O)[nH]c(SCc4nnn[nH]4)c3C#N)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 3/20 0.37
▸ CYP1A2 P05177 3/20 0.37
▸ CYP2D6 P10635 3/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.36
▸ HSP90AB1 P08238 1/20 0.36
▸ KISS1R Q969F8 3/20 0.36
▸ ALDH1A1 P00352 5/20 0.35
▸ HPGD P15428 3/20 0.35
▸ GAA P10253 2/20 0.35
▸ WNT3A P56704 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ KMT2A Q03164 3/20 0.33
▸ CD274 Q9NZQ7 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ THRB P10828 1/20 0.33

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
SCHEMBL32688223 0.93 KISS1R (0.35) USP2HSD17B10MAPK1KISS1RALDH1A1
SCHEMBL32688427 0.92 KISS1R (0.35) USP2HSD17B10SMN1; SMN2MAPK1KISS1R
SCHEMBL32688418 0.92 HSD17B10 (0.40) USP2HSD17B10SMN1; SMN2MAPK1KISS1R
SCHEMBL32688425 0.90 KISS1R (0.39) HSP90AA1HSP90AB1KISS1RALDH1A1
SCHEMBL32688199 0.90 HSD11B1 (0.36) SMN1; SMN2MAPK1KISS1RALDH1A1HPGD
SCHEMBL32688118 0.90 CTSS (0.39) MAPK1MAPT
SCHEMBL32688472 0.89 GRK6 (0.36) SMN1; SMN2KISS1RALDH1A1HPGDKMT2A
SCHEMBL32688310 0.88 GRK6 (0.37) HSD17B10SMN1; SMN2MAPK1KISS1RALDH1A1
SCHEMBL32688163 0.88 KISS1R (0.39) CYP1A2CYP2D6KISS1RTHRBHTT
SCHEMBL32688018 0.82 OTUD7B (0.40) ALDH1A1HPGDL3MBTL1PIK3CDKMT2A

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-20260078105-A1 Novel Aminocarboxymuconate Semialdehyde Decarboxylase Inhibitors ORSOBIO INC (US) 2026-03-19 — — 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-20260078105-A1 Novel Aminocarboxymuconate Semialdehyde Decarboxylase Inhibitors CPT1B, CBR1, MUSK USP2 2048/4885CYP1A2 959/4885CYP2D6 329/4885

“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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