SCHEMBL3786086

SCHEMBL3786086

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.38
KDM4C Q9H3R0 1/20 0.37
ERN1 O75460 1/20 0.36
PDE2A O00408 6/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTGER4 P35408 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HCRTR1 O43613 3/20 0.32
HCRTR2 O43614 3/20 0.32
GRM5 P41594 1/20 0.32
MCL1 Q07820 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
SCHEMBL13228804 0.91 ERN1 (0.35) ERN1PDE2AKDM4EPTGER4ALDH1A1
SCHEMBL3784891 0.91 ERN1 (0.35) ERN1PDE2AKDM4EPTGER4MEN1
SCHEMBL3789444 0.91 CSGALNACT1 (0.39) ERN1PDE2APTGER4HCRTR1HCRTR2
SCHEMBL3786912 0.90 ERN1 (0.34) ERN1PDE2APTGER4HCRTR1HCRTR2
SCHEMBL3791773 0.89 CNR2 (0.37) ERN1PDE2APTGER4
SCHEMBL3793414 0.88 NTSR1 (0.40)
SCHEMBL3787047 0.87 ERN1 (0.35) ERN1PDE2APTGER4HCRTR1HCRTR2
SCHEMBL13228807 0.86 SCN9A (0.36) ERN1PDE2A
SCHEMBL3791566 0.86 MMP12 (0.38) ERN1PDE2AMEN1KMT2AHCRTR1
SCHEMBL3795937 0.85 TACR3 (0.36) ERN1KDM4EALDH1A1

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 369/4885KDM4C 1715/4885ERN1 237/4885

“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.