SCHEMBL3789608

SCHEMBL3789608

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 11/20 0.37
ERN1 O75460 1/20 0.36
SCN9A Q15858 1/20 0.34
HIF1A Q16665 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
GPR52 Q9Y2T5 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
PKM P14618 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
BRAF P15056 1/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 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
SCHEMBL3795959 0.91 EGLN1 (0.45) EGLN1ERN1HIF1ANPC1RAB9A
SCHEMBL3784138 0.89 EGLN1 (0.38) EGLN1ERN1HIF1ANPC1RAB9A
SCHEMBL3789436 0.89 HDAC4 (0.40) EGLN1ERN1HIF1ANPC1RAB9A
SCHEMBL3788824 0.88 HDAC4 (0.41) EGLN1ERN1SCN9AHIF1A
SCHEMBL3794697 0.85 GCGR (0.39) EGLN1ERN1HIF1A
SCHEMBL3787977 0.85 ERN1 (0.42) ERN1SCN9A
SCHEMBL3785377 0.85 ERN1 (0.35) ERN1PDE3BPDE3A
SCHEMBL3790016 0.84 HIF1A (0.35) EGLN1ERN1HIF1ADRD2DRD3
SCHEMBL13228809 0.83 SCN9A (0.36) ERN1SCN9ABRAF
SCHEMBL13228804 0.83 ERN1 (0.35) ERN1SCN9A

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 3 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 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 EGLN1 369/4885ERN1 237/4885SCN9A 2892/4885

“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.