SCHEMBL4094092

SCHEMBL4094092

O=c1c2ncn(CC(F)(F)F)c2[nH]c(=S)n1-c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.48
KCNH2 Q12809 1/20 0.41
MAPT P10636 3/20 0.39
HIF1A Q16665 1/20 0.35
DUSP3 P51452 1/20 0.35
PTPN5 P54829 1/20 0.35
PTPN11 Q06124 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
XDH P47989 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
SCHEMBL5796503 0.87 MAPT (0.41) CNR1KCNH2MAPTHIF1ADUSP3
Hydrochloric Acid SCHEMBL1996889 0.86 MAPT (0.40) CNR1KCNH2MAPTHIF1ADUSP3
SCHEMBL5434498 0.78 MAPT (0.44) KCNH2MAPTDUSP3PTPN5PTPN11
Hydrochloric Acid SCHEMBL1989755 0.77 MAPT (0.43) KCNH2MAPTDUSP3PTPN5PTPN11
SCHEMBL5794101 0.75 ALDH1A1 (0.54) MAPTDUSP3PTPN5PTPN11MEN1
SCHEMBL4100584 0.75 CNR1 (0.51) CNR1HIF1AALDH1A1KDM4EGAA
SCHEMBL5793935 0.74 CNR1 (0.44) CNR1KCNH2MAPTDUSP3PTPN5
Hydrochloric Acid SCHEMBL5432165 0.74 ALDH1A1 (0.53) MAPTDUSP3PTPN5PTPN11MEN1
Hydrochloric Acid SCHEMBL4109224 0.74 CNR1 (0.44) CNR1KCNH2MAPTDUSP3PTPN5
SCHEMBL4524872 0.71 CNR1 (0.45) CNR1HIF1AALDH1A1XDHCYP17A1

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
US-20090233947-A1 2,3-Substituted fused bicyclic pyrimidin-4(3H)-ones which modulating the function of the vanilloid -1 receptor (VR1) MERCK SHARP & DOHME LTD. (GB) 2009-09-17 US disclosed
EP-1888586-A2 2,3-SUBSTITUTED FUSED BICYCLIC PYRIMIDIN-4(3H)-ONES WHICH MODULATE THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LTD. (GB) 2008-02-20 EP disclosed
WO-2006120481-A2 2,3-SUBSTITUTED FUSED BICYCLIC PYRIMIDIN-4(3H)-ONES WHICH MODULATE THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LIMITED (GB) 2006-11-16 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-20090233947-A1 2,3-Substituted fused bicyclic pyrimidin-4(3H)-ones which modulating the function of the vanilloid -1 receptor (VR1) TRPV1, TRPV2, TRPV3 CNR1 30/4885KCNH2 240/4885MAPT 4073/4885

“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.