SCHEMBL7497613

SCHEMBL7497613

O=C(NCc1cccs1)c1nc2c(C(F)(F)F)cc(-c3cccc(F)c3)cn2c1C#CCCO

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
RAB9A P51151 3/20 0.36
LMNA P02545 3/20 0.36
NPC1 O15118 2/20 0.36
POLB P06746 1/20 0.36
PYGM P11217 1/20 0.35
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL3684237 0.89 MAPT (0.39) CPT1AMAPTTHRBRXFP1PKM
SCHEMBL13788156 0.86 CPT1A (0.39) CPT1AMAPTTHRBRXFP1PKM
SCHEMBL7493300 0.85 TP53 (0.37) CPT1AMAPTTHRBRXFP1PKM
SCHEMBL3709471 0.84 PKM (0.44) CPT1AMAPTTHRBRXFP1PKM
SCHEMBL3699786 0.84 CPT1A (0.41) CPT1AMAPTTHRBRXFP1PKM
SCHEMBL7493702 0.84 CPT1A (0.41) CPT1AMAPTTHRBRXFP1PKM
SCHEMBL3687300 0.83 PIN1 (0.38) SMN1; SMN2
SCHEMBL3699921 0.82 CPT1A (0.38) CPT1AMAPTTHRBRXFP1PKM
SCHEMBL7490019 0.82 CPT1A (0.38) CPT1AMAPTTHRBRXFP1PKM
SCHEMBL7492929 0.82 CPT1A (0.39) CPT1AMAPTTHRBRXFP1PKM

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 3 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-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 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-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections OAT, HAVCR2, CPS1 CPT1A 192/4885MAPT 1692/4885THRB 3932/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 CPT1A 192/4885MAPT 1692/4885THRB 3932/4885

“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.