SCHEMBL4518585

SCHEMBL4518585

O=c1c2ncsc2nc(Cc2ccc(F)cc2F)n1-c1ccc(Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.37
MIF P14174 3/20 0.37
MPI P34949 1/20 0.37
MAT2A P31153 1/20 0.34
DPP4 P27487 1/20 0.34
MAPK14 Q16539 5/20 0.34
HTR7 P34969 2/20 0.33
PTGER1 P34995 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
KCNH2 Q12809 1/20 0.33
BRD9 Q9H8M2 1/20 0.33
ALDH1A2 O94788 1/20 0.33
ALDH1A3 P47895 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
SCHEMBL4506370 0.88 MIF (0.34) GSRMIFMPIMAT2APTGER1
SCHEMBL4510786 0.84 MIF (0.34) GSRMIFMPIMAT2AALDH1A2
SCHEMBL4523287 0.84 MIF (0.37) MIFBRD9ALDH1A2ALDH1A3
SCHEMBL4523638 0.80 GSR (0.41) GSRMAT2AMAPK14PTGER1BRD9
SCHEMBL4521476 0.77 GSR (0.39) GSRMAT2AMAPK14BRD9ALDH1A2
SCHEMBL4505934 0.77 CNR1 (0.38) GSRMAPK14DRD2HTR2AHTR2C
SCHEMBL1991949 0.74 TSHR (0.35) MAT2ADPP4
SCHEMBL4510077 0.74 PDE10A (0.34) MIFMAT2A
SCHEMBL4521828 0.73 MAT2A (0.40) GSRMAT2AMAPK14KCNH2
SCHEMBL4520411 0.73 GRM1 (0.35) MAT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) BROWN REBECCA ELIZABETH 2009-12-03 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-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) TRPV1, TRPV2, TRPV4 GSR 1941/4885MIF 3011/4885MPI 4373/4885

“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.