SCHEMBL3689256

SCHEMBL3689256

O=C(O)c1nc2cc(-c3ccoc3)cc(C(F)(F)F)c2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 2/20 0.45
▸ NPBWR1 P48145 1/20 0.40
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ RXRG P48443 1/20 0.36
▸ PTGER2 P43116 1/20 0.34
▸ PIN1 Q13526 2/20 0.34
▸ KMO O15229 1/20 0.34
▸ P2RY14 Q15391 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ STING1 Q86WV6 1/20 0.32
▸ SCD O00767 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
SCHEMBL13944438 0.91 ERN1 (0.45) ERN1NPBWR1RXRARXRBRXRG
SCHEMBL21906383 0.81 RXRA (0.43) RXRARXRBRXRGPIN1KMO
SCHEMBL3699862 0.81 ERN1 (0.45) ERN1NPBWR1PTGER2PIN1KMO
SCHEMBL20495249 0.74 S1PR1 (0.39) RXRARXRBRXRGPIN1KMO
SCHEMBL2317964 0.74 EPRS1 (0.40) RXRARXRBRXRGPIN1SMN1; SMN2
SCHEMBL21973179 0.72 RXRA (0.40) RXRARXRBRXRGKMO
SCHEMBL2322551 0.70 RBP4 (0.35) PIN1SMN1; SMN2
SCHEMBL3694859 0.70 ERN1 (0.41) ERN1NPBWR1RXRAKMOP2RY14
SCHEMBL10215308 0.68 ERN1 (0.47) ERN1NPBWR1KMOP2RY14
SCHEMBL1583795 0.67 ERN1 (0.43) ERN1NPBWR1KMOSTING1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 — — US disclosed
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 — — US disclosed
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 — — US disclosed
EP-2187883-A2 NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2010-05-26 — — EP disclosed
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 — — US disclosed
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 — — US disclosed
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 — — US disclosed
WO-2009023179-A2 NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2009-02-19 — — WO 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-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections OAT, HAVCR2, CPS1 ERN1 237/4885NPBWR1 3024/4885RXRA 2449/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 ERN1 237/4885NPBWR1 3024/4885RXRA 2449/4885

“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.

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