SCHEMBL3789954

SCHEMBL3789954

CS(=O)(=O)NC1CN(C(=O)c2nc3c(C(F)(F)F)cc(-c4ccco4)cn3c2Cl)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.36
CFTR P13569 1/20 0.35
KDM4E B2RXH2 5/20 0.34
PKM P14618 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
ALDH1A1 P00352 8/20 0.33
HPGD P15428 6/20 0.33
HSD17B10 Q99714 5/20 0.33
CASP1 P29466 4/20 0.33
CASP7 P55210 4/20 0.33
TSHR P16473 2/20 0.33
LMNA P02545 2/20 0.33
P2RX7 Q99572 1/20 0.33
KLK7 P49862 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SCD O00767 1/20 0.32
SCD5 Q86SK9 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
SCHEMBL13261948 0.88 CFTR (0.35) CFTRKDM4EPKMRXFP1ALDH1A1
SCHEMBL3687599 0.86 SCN9A (0.36) SCN9AHCRTR1HCRTR2
SCHEMBL3788829 0.85 GRM5 (0.36) SCN9ARBP4HCRTR1HCRTR2
SCHEMBL3795078 0.84 SCN9A (0.37) SCN9ACFTRRXFP1P2RX7HCRTR1
SCHEMBL3788696 0.84 SCD5 (0.38) CFTRKDM4EPKMRXFP1ALDH1A1
SCHEMBL3690897 0.84 ALDH1A1 (0.46) KDM4EPKMRXFP1ALDH1A1HPGD
SCHEMBL3786073 0.82 SCN9A (0.38) SCN9AKMT2AHCRTR1HCRTR2
SCHEMBL3687110 0.81 SCN9A (0.38) SCN9A
SCHEMBL3688433 0.81 SCD5 (0.52) KDM4EPKMRXFP1ALDH1A1HPGD
SCHEMBL3691007 0.81 ALDH1A1 (0.42) CFTRKDM4EPKMRXFP1ALDH1A1

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 4 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
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
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 SCN9A 2892/4885CFTR 2042/4885KDM4E 2131/4885

“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.