SCHEMBL4388765

SCHEMBL4388765

O=C1NCCCc2scnc21

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
OR51E2 Q9H255 1/20 0.34
TSHR P16473 1/20 0.32
CDC7 O00311 1/20 0.32
GAA P10253 2/20 0.30
GFER P55789 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
DRD2 P14416 1/20 0.30
DRD3 P35462 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
SCHEMBL30458415 0.77
SCHEMBL1579979 0.73
SCHEMBL10354633 0.73 HRH3 (0.38) ALDH1A1L3MBTL1DRD2DRD3
Hydrochloric Acid SCHEMBL29919945 0.72 UHRF1 (0.34)
SCHEMBL18304958 0.68 ALDH1A1 (0.38) ALDH1A1OR51E2TSHRGAAGFER
SCHEMBL8195075 0.67 USP2 (0.42) ALDH1A1OR51E2CDC7GAAGFER
SCHEMBL3533710 0.67 DRD2 (0.39) DRD2DRD3
SCHEMBL23142220 0.64 PDPK1 (0.42) ALDH1A1OR51E2TSHRCDC7GAA
SCHEMBL944673 0.63 GRM5 (0.40) ALDH1A1TSHRCDC7
SCHEMBL3582148 0.63 DRD2 (0.39) DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117946098-A Pyrimidine PLK1 inhibitor and preparation method and application thereof 上海深势唯思科技有限责任公司 2024-04-30 CN disclosed
US-7612075-B2 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2009-11-03 US disclosed
US-20040102450-A1 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2004-05-27 US disclosed
EP-1208097-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS Aventis Pharmaceuticals Inc. (US) 2002-05-29 EP disclosed
WO-2001007436-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2001-02-01 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-20040102450-A1 Substituted oxoazaheterocyclyl compounds F13B, F9, F11 ALDH1A1 3776/4885OR51E2 2328/4885TSHR 3403/4885

“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.