SCHEMBL3786912

SCHEMBL3786912

CC(O)C(NC(=O)c1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.34
CSGALNACT1 Q8TDX6 3/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
PDE2A O00408 7/20 0.33
MMP12 P39900 1/20 0.33
PTGER4 P35408 1/20 0.32
HCRTR1 O43613 2/20 0.31
HCRTR2 O43614 2/20 0.31
CA2 P00918 2/20 0.31
CA1 P00915 1/20 0.31

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
SCHEMBL3789444 0.94 CSGALNACT1 (0.39) ERN1CSGALNACT1MRGPRX4PDE2AMMP12
SCHEMBL13228815 0.92 SCN9A (0.37) ERN1PDE2APTGER4
SCHEMBL3786851 0.91 ERN1 (0.33) ERN1PDE2AHCRTR1HCRTR2
SCHEMBL3786086 0.90 EGLN1 (0.38) ERN1PDE2APTGER4HCRTR1HCRTR2
SCHEMBL13228807 0.87 SCN9A (0.36) ERN1CSGALNACT1PDE2A
SCHEMBL3795937 0.86 TACR3 (0.36) ERN1
SCHEMBL3791773 0.86 CNR2 (0.37) ERN1PDE2APTGER4CA2
SCHEMBL3793414 0.86 NTSR1 (0.40)
SCHEMBL13228804 0.85 ERN1 (0.35) ERN1PDE2APTGER4
SCHEMBL3787047 0.84 ERN1 (0.35) ERN1MRGPRX4PDE2APTGER4HCRTR1

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
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
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 ERN1 237/4885CSGALNACT1 3602/4885MRGPRX4 2828/4885

“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.