SCHEMBL3786998

SCHEMBL3786998

CN(C)C(=O)CNC(=O)Cc1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 3/20 0.36
ERN1 O75460 1/20 0.34
GRIN2B Q13224 5/20 0.32
OPRM1 P35372 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31
HDAC6 Q9UBN7 2/20 0.30
MCHR1 Q99705 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
SCHEMBL3795049 0.89 HDAC4 (0.36) HDAC4ERN1ADORA3ADORA2AADORA2B
SCHEMBL3784194 0.89 ERN1 (0.35) HDAC4ERN1ADORA3ADORA2AADORA2B
SCHEMBL3785377 0.88 ERN1 (0.35) ERN1ADORA3ADORA2AADORA2BADORA1
SCHEMBL3788824 0.85 HDAC4 (0.41) HDAC4ERN1GRIN2B
SCHEMBL3784185 0.83 ERN1 (0.33) HDAC4ERN1ADORA3ADORA2AADORA2B
SCHEMBL3790970 0.83 ALDH1A1 (0.46) OPRM1L3MBTL1
SCHEMBL3785378 0.83 ERN1 (0.38) ERN1
SCHEMBL3792676 0.83 MALT1 (0.37) ERN1L3MBTL1ADORA3ADORA2AADORA2B
SCHEMBL3687351 0.82 ERN1 (0.40) ERN1L3MBTL1
SCHEMBL3795152 0.81 TSHR (0.40) HDAC4L3MBTL1

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 HDAC4 1478/4885ERN1 237/4885GRIN2B 3552/4885

“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.