SCHEMBL3789953

SCHEMBL3789953

CC(C)C(NC(=O)Cc1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1)C(N)=O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.33
ERN1 O75460 1/20 0.33
KDM4E B2RXH2 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
SYK P43405 1/20 0.31
LTA4H P09960 1/20 0.30
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30

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
SCHEMBL13228827 1.00 SCN9A (0.33) SCN9AERN1KDM4EHCRTR1HCRTR2
SCHEMBL3793447 0.94 ERN1 (0.32) SCN9AERN1HCRTR1HCRTR2LTA4H
SCHEMBL13228830 0.94 ERN1 (0.32) SCN9AERN1HCRTR1HCRTR2LTA4H
SCHEMBL3793655 0.91 ERN1 (0.34) SCN9AERN1HCRTR1HCRTR2LTA4H
SCHEMBL3797181 0.91 THRB (0.34) ERN1KDM4EHCRTR1HCRTR2
SCHEMBL13228828 0.88 ERN1 (0.34) SCN9AERN1HCRTR1HCRTR2LTA4H
SCHEMBL3785290 0.88 ERN1 (0.34) SCN9AERN1HCRTR1HCRTR2LTA4H
SCHEMBL3788865 0.87 HDAC1 (0.35) ERN1HCRTR1HCRTR2
SCHEMBL3789098 0.86 HDAC1 (0.34) ERN1HCRTR1HCRTR2
SCHEMBL13228807 0.85 SCN9A (0.36) SCN9AERN1SYK

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-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

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 2892/4885ERN1 237/4885KDM4E 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.