SCHEMBL3789436

SCHEMBL3789436

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.40
ERN1 O75460 1/20 0.35
EGLN1 Q9GZT9 11/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
GLS O94925 1/20 0.33
HIF1A Q16665 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
MRGPRX4 Q96LA9 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
SCHEMBL3784138 0.90 EGLN1 (0.38) ERN1EGLN1NPC1RAB9AHIF1A
SCHEMBL3795959 0.89 EGLN1 (0.45) ERN1EGLN1NPC1RAB9AHIF1A
SCHEMBL3789608 0.89 EGLN1 (0.37) ERN1EGLN1NPC1RAB9AHIF1A
SCHEMBL3788824 0.88 HDAC4 (0.41) HDAC4ERN1EGLN1HIF1A
SCHEMBL3795049 0.86 HDAC4 (0.36) HDAC4ERN1ADORA3ADORA2AADORA2B
SCHEMBL3790016 0.84 HIF1A (0.35) HDAC4ERN1EGLN1HIF1AALDH1A1
SCHEMBL3794697 0.84 GCGR (0.39) ERN1EGLN1HIF1A
SCHEMBL3789439 0.82 ERN1 (0.38) ERN1ADORA3ADORA2AADORA2B
SCHEMBL3789610 0.82 ERN1 (0.37) ERN1ADORA3ADORA2AADORA2B
SCHEMBL1583304 0.81 NOTUM (0.41) ERN1ALDH1A1MRGPRX4

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 HDAC4 1478/4885ERN1 237/4885EGLN1 369/4885

“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.