SCHEMBL3787325

SCHEMBL3787325

O=C(c1nc2c(C(F)(F)F)cc(-c3ccccc3)cn2c1Cl)N1CC=C(c2nccs2)C1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.37
SCD O00767 2/20 0.36
RORC P51449 1/20 0.36
RBP4 P02753 1/20 0.35
SLC6A7 Q99884 2/20 0.33
USP2 O75604 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SHMT2 P34897 1/20 0.32
SCD5 Q86SK9 2/20 0.32
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MGLL Q99685 1/20 0.31
TRPV1 Q8NER1 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
SCHEMBL3790298 0.92 P2RX7 (0.37) P2RX7SCDRORCRBP4L3MBTL1
SCHEMBL3684563 0.89 P2RX7 (0.34) P2RX7SCDRORC
SCHEMBL3691038 0.87 PTK6 (0.35) P2RX7RORC
SCHEMBL3786771 0.87 P2RX7 (0.33) P2RX7SCDRORC
SCHEMBL3793484 0.86 P2RX7 (0.35) P2RX7SCDRORCRBP4USP2
SCHEMBL3790304 0.86 P2RX7 (0.33) P2RX7RORC
SCHEMBL13229244 0.86 ULK1 (0.35) P2RX7SCDRORCUSP2SHMT2
SCHEMBL3786774 0.85 P2RX7 (0.32) P2RX7
SCHEMBL3789564 0.85 ULK1 (0.33) P2RX7
SCHEMBL13229232 0.85 P2RX7 (0.42) P2RX7SCDRORCRBP4USP2

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-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US claimed
WO-2010091409-A1 CERTAIN NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS 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
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 P2RX7 589/4885SCD 1226/4885RORC 480/4885

“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.