SCHEMBL3787047

SCHEMBL3787047

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

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.35
HCRTR1 O43613 4/20 0.33
HCRTR2 O43614 4/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
CDK2 P24941 1/20 0.32
PDE2A O00408 2/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
BRAF P15056 1/20 0.31
SUCNR1 Q9BXA5 1/20 0.31
GLS O94925 2/20 0.31
PTGER4 P35408 1/20 0.31
AKR1B1 P15121 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
SCHEMBL13228809 0.92 SCN9A (0.36) ERN1HCRTR1HCRTR2BRAF
SCHEMBL3793414 0.90 NTSR1 (0.40)
SCHEMBL3789356 0.90 HDAC1 (0.37) ERN1HCRTR1HCRTR2CDK2BRAF
SCHEMBL3792557 0.89 CDK2 (0.40) CDK2
SCHEMBL3791044 0.88 FNTA (0.44) FNTAFNTB
SCHEMBL3786086 0.87 EGLN1 (0.38) ERN1HCRTR1HCRTR2PDE2APTGER4
SCHEMBL3789444 0.85 CSGALNACT1 (0.39) ERN1HCRTR1HCRTR2MRGPRX4PDE2A
SCHEMBL3791773 0.85 CNR2 (0.37) ERN1PDE2APTGER4
SCHEMBL3786912 0.84 ERN1 (0.34) ERN1HCRTR1HCRTR2MRGPRX4PDE2A
SCHEMBL3791566 0.84 MMP12 (0.38) ERN1HCRTR1HCRTR2PDE2AAKR1B1

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 ERN1 237/4885HCRTR1 2077/4885HCRTR2 3185/4885

“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.