SCHEMBL7499801

SCHEMBL7499801

O=C(NCc1cccs1)c1nc2c(C(F)(F)F)cc(-c3cccc(F)c3)cn2c1CN1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.42
CPT1A P50416 1/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.37
PYGM P11217 1/20 0.36
PKM P14618 1/20 0.36
HTR2C P28335 1/20 0.36
MCHR1 Q99705 1/20 0.36
CNR2 P34972 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
TP53 P04637 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
THRB P10828 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL7499735 0.94 CPT1A (0.39) CPT1APOLBMAPTPKMSMN1; SMN2
SCHEMBL7491347 0.85 CPT1A (0.38) CPT1AMAPTPYGMPKMSMN1; SMN2
SCHEMBL3686097 0.84 SLC2A1 (0.49) SLC2A1CNR2SMN1; SMN2TP53ALDH1A1
SCHEMBL3699786 0.84 CPT1A (0.41) CPT1APOLBMAPTPKMSMN1; SMN2
SCHEMBL3709471 0.84 PKM (0.44) CPT1APOLBMAPTPKMSMN1; SMN2
SCHEMBL7493702 0.84 CPT1A (0.41) CPT1APOLBMAPTPKMSMN1; SMN2
SCHEMBL7492929 0.81 CPT1A (0.39) CPT1APOLBMAPTPYGMPKM
SCHEMBL7490019 0.80 CPT1A (0.38) CPT1AMAPTPYGMPKMSMN1; SMN2
SCHEMBL3699921 0.80 CPT1A (0.38) CPT1AMAPTPYGMPKMSMN1; SMN2
SCHEMBL7528444 0.80 TP53 (0.39) CPT1AMAPTPKMSMN1; SMN2TP53

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-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
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 SLC2A1 2785/4885CPT1A 192/4885POLB 1134/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 SLC2A1 2785/4885CPT1A 192/4885POLB 1134/4885

“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.