SCHEMBL5485319

SCHEMBL5485319

O=S1(=O)O[C]c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.37
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
NOX1 Q9Y5S8 1/20 0.33
LMNA P02545 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
HIF1A Q16665 1/20 0.31
KDM4E B2RXH2 1/20 0.30
CA12 O43570 1/20 0.30
USP2 O75604 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
BCHE P06276 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 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
SCHEMBL139164 0.66 GPR3 (0.46) GPR3KMT2AMEN1NOX1LMNA
SCHEMBL9551845 0.63 GPR3 (0.39) GPR3KMT2AMEN1NOX1LMNA
SCHEMBL1450925 0.62 GPR3 (0.37) GPR3KMT2AMEN1NOX1LMNA
SCHEMBL30951022 0.60 GPR3 (0.71) GPR3KMT2AMEN1NOX1LMNA
SCHEMBL3280918 0.60 GPR3 (0.71) GPR3KMT2AMEN1NOX1LMNA
SCHEMBL88079 0.60
SCHEMBL1268706 0.60 GPR3 (0.36) GPR3KMT2AMEN1NOX1CA12
SCHEMBL1992607 0.60 CA12 (0.38) GPR3KMT2AMEN1NOX1LMNA
SCHEMBL2918638 0.60 GPR3 (0.36) GPR3KMT2AMEN1NOX1
SCHEMBL18202151 0.60 GPR3 (0.40) GPR3KMT2AMEN1NOX1LMNA

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-20070299067-A1 Quinoline and isoquinoline derivatives as phosphodiesterase 10 inhibitors AMGEN INC. 2007-12-27 US claimed
US-20070299067-A1 Quinoline and isoquinoline derivatives as phosphodiesterase 10 inhibitors AMGEN INC. 2007-12-27 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-20070299067-A1 Quinoline and isoquinoline derivatives as phosphodiesterase 10 inhibitors PDE12, PDE10A, PDE4A GPR3 2770/4885KMT2A 2094/4885MEN1 2743/4885

“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.