SCHEMBL31173296

SCHEMBL31173296

COC(=O)CCc1cc2c(s1)CNCC2

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PNMT P11086 3/20 0.39
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39
RPS6KB2 Q9UBS0 1/20 0.38
PARP1 P09874 7/20 0.36
PARP2 Q9UGN5 7/20 0.36
POLB P06746 1/20 0.34
ADORA1 P30542 2/20 0.34
KCNH2 Q12809 1/20 0.34
HPGD P15428 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
Hydrochloric Acid SCHEMBL7974846 0.75 PNMT (0.52) PNMTITGB3ITGA2BPARP1PARP2
SCHEMBL22502985 0.74 PNMT (0.43) PNMTPARP1PARP2
SCHEMBL1173814 0.73 KDM4E (0.56) PNMTITGB3ITGA2BPARP1PARP2
Hydrochloric Acid SCHEMBL27077216 0.72 KDM4E (0.55) PNMTITGB3ITGA2BPARP1PARP2
SCHEMBL19642967 0.72 PLAU (0.49)
SCHEMBL23460842 0.70 PNMT (0.40) PNMTPARP1PARP2KCNH2
Hydrochloric Acid SCHEMBL27149019 0.70 PNMT (0.37) PNMTITGB3ITGA2BPARP1PARP2
SCHEMBL31173367 0.69 ESR2 (0.46) ADORA1
SCHEMBL13832492 0.69 PNMT (0.48) PNMTITGB3ITGA2BPARP1PARP2
SCHEMBL30916151 0.68 ALDH1A1 (0.61) PNMTITGB3ITGA2BPOLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4692057-A1 NOVEL B0AT1 INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2026-02-11 EP disclosed
US-20260001849-A1 NOVEL B0AT1 INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2026-01-01 US disclosed
WO-2024210198-A1 NOVEL B0AT1 INHIBITOR 田辺三菱製薬株式会社 2024-10-10 WO 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-20260001849-A1 NOVEL B0AT1 INHIBITOR BCAT1, BCAT2, BHMT PNMT 214/4885ITGB3 4504/4885ITGA2B 4619/4885

“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.