SCHEMBL3483992

SCHEMBL3483992

COc1cccc(-c2n[nH]c(S)n2)c1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.67
NR1H3 Q13133 1/20 0.67
ADORA2A P29274 11/20 0.58
ADORA1 P30542 7/20 0.58
DYRK1A Q13627 1/20 0.54
CLK4 Q9HAZ1 1/20 0.54
NOTUM Q6P988 1/20 0.51
DCUN1D1 Q96GG9 1/20 0.51
CYP19A1 P11511 1/20 0.48
XDH P47989 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
VDR P11473 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2B6 P20813 1/20 0.47
AHR P35869 1/20 0.47
NR1I3 Q14994 1/20 0.47
GAA P10253 1/20 0.46

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
SCHEMBL17279794 0.81 NR1H2 (0.86) NR1H2NR1H3ADORA2AADORA1DYRK1A
SCHEMBL3975246 0.81 NR1H2 (0.67) NR1H2NR1H3ADORA2AADORA1DYRK1A
SCHEMBL2485799 0.80 XDH (0.49) NR1H2NR1H3DYRK1ACLK4NOTUM
SCHEMBL11401007 0.79 CYP1A2 (0.59) NR1H2NR1H3NOTUMCYP1A2CYP2C9
SCHEMBL30149870 0.77 NR1H2 (0.89) NR1H2NR1H3ADORA2AADORA1DCUN1D1
SCHEMBL29035880 0.77 NR1H2 (0.89) NR1H2NR1H3ADORA2AADORA1DCUN1D1
SCHEMBL17279741 0.77 NR1H2 (0.72) NR1H2NR1H3ADORA2AADORA1DYRK1A
SCHEMBL15117074 0.76 NR1H2 (0.80) NR1H2NR1H3ADORA2AADORA1DYRK1A
SCHEMBL10476791 0.75 NR1H2 (0.73) NR1H2NR1H3ADORA2AADORA1DYRK1A
SCHEMBL10476798 0.75 NR1H2 (0.69) NR1H2NR1H3ADORA2AADORA1DYRK1A

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-20100004159-A1 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATIONS AND USES GENFIT (FR) 2010-01-07 US disclosed
CN-101522192-A Substituted imidazolone derivatives, preparation and uses GENFIT (FR) 2009-09-02 CN 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-20100004159-A1 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATIONS AND USES IPO5, PPIP5K2, IPO4 NR1H2 2848/4885NR1H3 2297/4885ADORA2A 1487/4885

“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.