SCHEMBL3788829

SCHEMBL3788829

CS(=O)(=O)NC1CN(C(=O)c2nc3c(C(F)(F)F)cc(-c4cccc(F)c4)cn3c2Cl)C1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.36
SCN9A Q15858 1/20 0.36
PTGS2 P35354 1/20 0.35
CACNA1B Q00975 2/20 0.33
GRIN2B Q13224 1/20 0.33
RBP4 P02753 1/20 0.33
CSNK1D P48730 1/20 0.33
CSNK1E P49674 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
MAP4K4 O95819 1/20 0.33
HCRTR2 O43614 4/20 0.33
HCRTR1 O43613 3/20 0.33
RIPK1 Q13546 1/20 0.32

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
SCHEMBL3795078 0.88 SCN9A (0.37) SCN9APTGS2HCRTR2HCRTR1
SCHEMBL13262074 0.88 GRM5 (0.37) GRM5GRIN2BRBP4CSNK1DCSNK1E
SCHEMBL3687599 0.85 SCN9A (0.36) SCN9AHCRTR2HCRTR1
SCHEMBL3789954 0.85 SCN9A (0.36) SCN9ARBP4HCRTR2HCRTR1
SCHEMBL3687110 0.84 SCN9A (0.38) SCN9A
SCHEMBL3786073 0.83 SCN9A (0.38) SCN9AHCRTR2HCRTR1
SCHEMBL3697217 0.82 SFRP1 (0.34) GRM5PSEN1PSEN2APH1BNCSTN
SCHEMBL3689038 0.79 DPP4 (0.38)
SCHEMBL7495678 0.79 DPP4 (0.38)
SCHEMBL3692042 0.79 SCD5 (0.43) GRM5RBP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US claimed
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US disclosed
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US disclosed
WO-2010091409-A1 CERTAIN NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GLAXOSMITHKLINE LLC (US) 2010-08-12 WO disclosed
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 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-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections OAT, HAVCR2, CPS1 GRM5 3710/4885SCN9A 2892/4885PTGS2 1003/4885

“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.