SCHEMBL23102001

SCHEMBL23102001

CC1CC(=O)NN=C1c1ccc(NC(=N)NS(C)(=O)=O)c([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 3/20 0.65
MAPT P10636 3/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
ALDH1A1 P00352 3/20 0.60
GAA P10253 1/20 0.60
THRB P10828 1/20 0.59
PDE3B Q13370 16/20 0.57
PDE3A Q14432 16/20 0.57
SLFN12 Q8IYM2 1/20 0.57
LMNA P02545 1/20 0.57
MAPK1 P28482 1/20 0.57
KDM4E B2RXH2 1/20 0.46
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
TNNC1 P63316 1/20 0.42

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
SCHEMBL22910178 0.89 GALR3 (0.68) GALR3MAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL21241617 0.87 GALR3 (0.65) GALR3MAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL21241282 0.87 MAPT (0.67) GALR3MAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL21241615 0.87 GALR3 (0.65) GALR3MAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL21241281 0.86 GALR3 (0.69) GALR3MAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL21241019 0.85 PDE3B (0.54) GALR3MAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL21241246 0.85 MAPT (0.68) GALR3MAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL22910062 0.84 MAPT (0.64) GALR3MAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL16156975 0.84 MAPT (0.71) GALR3MAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL7315454 0.84 MAPT (0.71) GALR3MAPTSMN1; SMN2ALDH1A1GAA

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-11512056-B2 Guanidyl-containing P2Y12 receptor antagonist and preparation method and application thereof ANHUI NEW STAR PHARMACEUTICAL DEVELOPMENT CO., LTD (CN) 2022-11-29 US claimed
US-20210078954-A1 GUANIDYL-CONTAINING P2Y12 RECEPTOR ANTAGONIST AND PREPARATION METHOD AND APPLICATION THEREOF ANHUI NEW STAR PHARMACEUTICAL DEVELOPMENT CO., LTD (CN) 2021-03-18 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 (2 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-20210078954-A1 GUANIDYL-CONTAINING P2Y12 RECEPTOR ANTAGONIST AND PREPARATION METHOD AND APPLICATION THEREOF P2RY12, P2RY13, P2RY11 GALR3 250/4885MAPT 3866/4885SMN1; SMN2 2584/4885
US-11512056-B2 Guanidyl-containing P2Y12 receptor antagonist and preparation method and application thereof P2RY12, P2RY13, P2RY11 GALR3 250/4885MAPT 3866/4885SMN1; SMN2 2584/4885

“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.