SCHEMBL3064063

SCHEMBL3064063

O=Cc1c(C(=O)O)nc2c(C(F)(F)F)cc(-c3ccoc3)cn12

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.46
NT5E P21589 2/20 0.32
KMO O15229 1/20 0.31
NPBWR1 P48145 1/20 0.31
GRM5 P41594 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
SCHEMBL3685804 0.85 ERN1 (0.40) ERN1NT5EKMONPBWR1
SCHEMBL1583475 0.85 ERN1 (0.40) ERN1NT5EKMONPBWR1
SCHEMBL1583247 0.85 ERN1 (0.40) ERN1NT5EKMONPBWR1
SCHEMBL1583278 0.84 ERN1 (0.40) ERN1NT5EKMONPBWR1
SCHEMBL3687666 0.82 ERN1 (0.38) ERN1NT5EKMONPBWR1
SCHEMBL3784874 0.81 ERN1 (0.38) ERN1NT5EKMO
SCHEMBL3688527 0.81 PTGS1 (0.41) ERN1NT5EKMO
SCHEMBL3796191 0.79 MARK3 (0.34) ERN1NT5ENPBWR1
SCHEMBL3686255 0.78 MEN1 (0.36) ERN1
SCHEMBL3693692 0.77 ERN1 (0.40) ERN1NT5ENPBWR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100272680-A1 Piperidinyl Cyclic Amido Antiviral Agents BASKARAN SUBRAMANIAN 2010-10-28 US disclosed
WO-2010091411-A1 PIPERIDINYL CYCLIC AMIDO ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2010-08-12 WO disclosed
WO-2010091409-A1 CERTAIN NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GLAXOSMITHKLINE LLC (US) 2010-08-12 WO disclosed
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US disclosed
WO-2010091409-A1 CERTAIN NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GLAXOSMITHKLINE LLC (US) 2010-08-12 WO 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 (2 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 237/4885NT5E 171/4885KMO 2804/4885
US-20100272680-A1 Piperidinyl Cyclic Amido Antiviral Agents ZC3HAV1, MAVS, EIF2AK2 ERN1 196/4885NT5E 1615/4885KMO 4113/4885

“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.