SCHEMBL3789342

SCHEMBL3789342

FC(F)(F)c1cc(-c2ccoc2)cn2cc(CCl)nc12

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.38
NPBWR1 P48145 1/20 0.34
GRM5 P41594 2/20 0.33
KCNQ3 O43525 2/20 0.32
KCNQ2 O43526 2/20 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
SCHEMBL3786920 0.88 ERN1 (0.38) ERN1NPBWR1GRM5
SCHEMBL3684681 0.88 ERN1 (0.38) ERN1NPBWR1GRM5
SCHEMBL3689416 0.88 ERN1 (0.41) ERN1NPBWR1GRM5
Hydrochloric Acid SCHEMBL3787578 0.87 ERN1 (0.38) ERN1NPBWR1GRM5
SCHEMBL3785576 0.86 ERN1 (0.37) ERN1NPBWR1GRM5
Hydrochloric Acid SCHEMBL3786905 0.85 ERN1 (0.36) ERN1NPBWR1GRM5
SCHEMBL3785390 0.85 ERN1 (0.36) ERN1NPBWR1GRM5
SCHEMBL3687351 0.84 ERN1 (0.40) ERN1NPBWR1
SCHEMBL3786076 0.83 ERN1 (0.40) ERN1NPBWR1GRM5
SCHEMBL13229141 0.81 ERN1 (0.38) ERN1NPBWR1GRM5

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
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
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 ERN1 237/4885NPBWR1 3024/4885GRM5 3710/4885

“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.