SCHEMBL3784891

SCHEMBL3784891

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.35
SCN9A Q15858 1/20 0.34
KDM4E B2RXH2 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
NR4A2 P43354 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HCRTR1 O43613 4/20 0.31
HCRTR2 O43614 4/20 0.31
PDE2A O00408 3/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
PTGER4 P35408 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
NOTUM Q6P988 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
SCHEMBL13228804 0.92 ERN1 (0.35) ERN1SCN9AKDM4EALDH1A1HPGD
SCHEMBL3795937 0.91 TACR3 (0.36) ERN1KDM4EHDAC1HDAC6NR4A2
SCHEMBL3786086 0.91 EGLN1 (0.38) ERN1KDM4EMEN1KMT2AALDH1A1
SCHEMBL3786851 0.90 ERN1 (0.33) ERN1KDM4EHDAC1HDAC6NR4A2
SCHEMBL3793520 0.89 CNR2 (0.36) ERN1HDAC1HDAC6NR4A2
SCHEMBL3792225 0.89 TAS1R3 (0.41) MEN1KMT2A
SCHEMBL3789356 0.88 HDAC1 (0.37) ERN1HDAC1HDAC6NR4A2HCRTR1
SCHEMBL3793205 0.87 TACR3 (0.40) KDM4EMEN1KMT2AALDH1A1HCRTR1
SCHEMBL13228807 0.86 SCN9A (0.36) ERN1SCN9APDE2A
SCHEMBL13228815 0.85 SCN9A (0.37) ERN1SCN9APDE2APTGER4

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 ERN1 237/4885SCN9A 2892/4885KDM4E 2131/4885

“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.