SCHEMBL4385293

SCHEMBL4385293

NOCc1ncccc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGXT P21549 4/20 0.44
IDO1 P14902 3/20 0.44
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
ADRA1D P25100 2/20 0.38
ADRA1A P35348 2/20 0.38
ADRA1B P35368 2/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
LTA4H P09960 1/20 0.38
MAPK14 Q16539 1/20 0.38
DPP4 P27487 1/20 0.37
TOP1 P11387 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 2/20 0.36
HTT P42858 1/20 0.36
PTGS1 P23219 1/20 0.36

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
SCHEMBL8290932 0.82 NPC1 (0.46) MAPK1RAB9AADRA1DADRA1AADRA1B
SCHEMBL2181299 0.79 DPP4 (0.50) TP53MAPK1RAB9ADPP4TOP1
SCHEMBL8284076 0.79 SYK (0.38) RAB9AADRA1DADRA1AADRA1BMAOA
SCHEMBL676668 0.79 ALDH1A1 (0.57) DPP4TOP1ALDH1A1HSD17B10HTT
SCHEMBL30022235 0.77 ALDH1A1 (0.41) TP53MAPK1RAB9ADPP4TOP1
SCHEMBL5303659 0.76 HRH1 (0.46) TP53MAPK1RAB9AMAOBDPP4
SCHEMBL11311948 0.76 TOP1 (0.40) TP53MAPK1RAB9ANISCHDPP4
SCHEMBL8150056 0.76 PTGS1 (0.42) DPP4TOP1ALDH1A1HSD17B10HTT
SCHEMBL4386016 0.76 IDO1 (0.48) AGXTIDO1RAB9AMAOAMAOB
Hydrochloric Acid SCHEMBL30546241 0.75 TP53 (0.46) TP53MAPK1RAB9AMAOBDPP4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 US disclosed
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 US disclosed
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 US disclosed
EP-2040698-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2009-04-01 EP disclosed
WO-2008008398-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2008-01-17 WO disclosed
WO-2008008398-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2008-01-17 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-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF KCNN4, CACNA1A, KCNN3 AGXT 3147/4885IDO1 305/4885TP53 4415/4885

“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.