SCHEMBL3643133

SCHEMBL3643133

COc1ccc(C2CCN(C(=O)c3nc4c(C(F)(F)F)cc(-c5ccoc5)cn4c3Cl)C2)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 3/20 0.40
PROKR1 Q8TCW9 9/20 0.39
SLC9A1 P19634 1/20 0.38
ABCB1 P08183 1/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
SCD5 Q86SK9 1/20 0.38
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
HIF1A Q16665 1/20 0.36
KDM5A P29375 1/20 0.36

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
SCHEMBL3687889 0.92 PROKR1 (0.41) RBP4PROKR1SLC9A1ABCB1SCD5
SCHEMBL3650839 0.91 PDE4B (0.41)
SCHEMBL3650104 0.91 TRPV1 (0.40) RBP4PROKR1SLC9A1SCD5KDM5A
SCHEMBL3693739 0.91 SPR (0.41) RBP4PROKR1SLC9A1GAASCD5
SCHEMBL3686875 0.91 SCD5 (0.40) RBP4PROKR1SLC9A1SCD5KDM5A
SCHEMBL3691242 0.90 SCD5 (0.48) RBP4SCD5
SCHEMBL3691240 0.90 SCD5 (0.48) RBP4SCD5
SCHEMBL3692964 0.90 SCD5 (0.48) RBP4SCD5
SCHEMBL3688356 0.88 SCD5 (0.38) RBP4PROKR1SLC9A1SCD5KDM5A
SCHEMBL3784079 0.88 GFER (0.41) ABCB1ALDH1A1GAA

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 RBP4 1868/4885PROKR1 4829/4885SLC9A1 3860/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 RBP4 1868/4885PROKR1 4829/4885SLC9A1 3860/4885

“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.