SCHEMBL1161593

SCHEMBL1161593

Cn1c(CCl)nc2c(C#N)cccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.39
LCK P06239 1/20 0.37
RORC P51449 2/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
MDM2 Q00987 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
IMPDH2 P12268 1/20 0.35
HSP90AA1 P07900 1/20 0.34
PPARG P37231 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PSMB8 P28062 1/20 0.34
ELANE P08246 1/20 0.34
KCNH2 Q12809 1/20 0.33
ALOX5AP P20292 1/20 0.33
PIK3C2B O00750 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL4156366 0.78 HSP90AB1 (0.39) GRM2NPC1LMNAMAPTRAB9A
SCHEMBL4726673 0.76 GRM2 (0.37) GRM2LCKNPC1LMNAMAPT
SCHEMBL7894744 0.76 GRM2 (0.43) GRM2LCKNPC1RAB9APPARG
SCHEMBL1161620 0.76 PSMB8 (0.47) RORCNPC1LMNAMAPTRAB9A
SCHEMBL1161432 0.74 RAB9A (0.50) GRM2LMNARAB9AKDM4EMEN1
SCHEMBL6544801 0.71 PPARG (0.40) LMNAMAPTRAB9ASMN1; SMN2NPSR1
SCHEMBL28230824 0.71 TLR8 (0.43) GRM2MAPTRAB9ASMN1; SMN2NPSR1
SCHEMBL103809 0.68 RAB9A (0.60) NPC1LMNAMAPTRAB9ASMN1; SMN2
SCHEMBL254268 0.68 TLR7 (0.38) GRM2NPC1MAPTRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL6000086 0.67 RAB9A (0.58) NPC1LMNAMAPTRAB9ASMN1; SMN2

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
WO-2011012622-A1 BENZOXAZINONE DERIVATIVES FOR THE TREATMENT OF GLYTL MEDIATED DISORDERS GLAXO GROUP LIMITED (GB) 2011-02-03 WO disclosed
WO-2011012622-A1 BENZOXAZINONE DERIVATIVES FOR THE TREATMENT OF GLYTL MEDIATED DISORDERS GLAXO GROUP LIMITED (GB) 2011-02-03 WO disclosed
US-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS EFREMOV IVAN 2008-11-13 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-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS PAICS, TMBIM6, ABCG2 GRM2 4477/4885LCK 601/4885RORC 1322/4885

“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.