SCHEMBL3784157

SCHEMBL3784157

O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CC=C(c2cncc(F)c2)CC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.35
SCD O00767 2/20 0.34
SCD5 Q86SK9 2/20 0.34
NAMPT P43490 2/20 0.34
TLR7 Q9NYK1 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
CYP11B2 P19099 2/20 0.33
TRPV1 Q8NER1 7/20 0.31
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL3689697 0.92 NAMPT (0.35) P2RX7SCDSCD5NAMPTEGLN1
SCHEMBL3691190 0.92 SCD (0.37) SCDSCD5NAMPTTRPV1MAPT
SCHEMBL3690381 0.91 NAMPT (0.35) SCDSCD5NAMPTEGLN1TRPV1
SCHEMBL3690179 0.90 SCD (0.39) SCDSCD5NAMPTTRPV1MAPT
SCHEMBL13261355 0.90 NAMPT (0.37) P2RX7SCDSCD5NAMPTTRPV1
SCHEMBL3686611 0.89 MAPT (0.40) SCDSCD5NAMPTEGLN1TRPV1
SCHEMBL3688408 0.88 NAMPT (0.33) SCDSCD5NAMPTEGLN1TRPV1
SCHEMBL3689929 0.87 ALDH1A1 (0.34) SCDSCD5NAMPTEGLN1TRPV1
SCHEMBL3694143 0.87 NAMPT (0.33) SCDSCD5NAMPTEGLN1TRPV1
SCHEMBL3697505 0.87 NAMPT (0.36) SCDSCD5NAMPTTRPV1

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
WO-2010091409-A1 CERTAIN NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GLAXOSMITHKLINE LLC (US) 2010-08-12 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 (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 1226/4885SCD5 2314/4885

“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.