SCHEMBL7493702

SCHEMBL7493702

O=C(NCc1cccs1)c1nc2c(C(F)(F)F)cc(-c3cccc(F)c3)cn2c1Br

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
THRB P10828 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
LMNA P02545 3/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 1/20 0.39
PPARG P37231 1/20 0.38
MAPK1 P28482 2/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 2/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL7490255 0.91 SMN1; SMN2 (0.45) CPT1AMAPTPKMSMN1; SMN2THRB
SCHEMBL3699786 0.90 CPT1A (0.41) CPT1AMAPTPKMSMN1; SMN2THRB
SCHEMBL3709471 0.90 PKM (0.44) CPT1AMAPTPKMSMN1; SMN2THRB
SCHEMBL7492929 0.87 CPT1A (0.39) CPT1AMAPTPKMSMN1; SMN2THRB
SCHEMBL3699921 0.86 CPT1A (0.38) CPT1AMAPTPKMSMN1; SMN2THRB
SCHEMBL7490019 0.86 CPT1A (0.38) CPT1AMAPTPKMSMN1; SMN2THRB
SCHEMBL7491347 0.86 CPT1A (0.38) CPT1AMAPTPKMSMN1; SMN2THRB
SCHEMBL7528444 0.86 TP53 (0.39) CPT1AMAPTPKMSMN1; SMN2THRB
SCHEMBL3702704 0.85 ROCK2 (0.40) CPT1AMAPTPKMSMN1; SMN2THRB
SCHEMBL13788702 0.85 ADORA2A (0.41) CPT1AMAPTPKMSMN1; SMN2THRB

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 1692/4885PKM 2286/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 CPT1A 192/4885MAPT 1692/4885PKM 2286/4885

“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.