SCHEMBL4386016

SCHEMBL4386016

NOCc1ncccc1F

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 9/20 0.48
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
AGXT P21549 7/20 0.38
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDE4A P27815 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
NPC1 O15118 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ADORA2A P29274 1/20 0.33
MEN1 O00255 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL28002301 0.83 KDM1A (0.41) KDM1AMAOAMAOBHDAC1HDAC6
SCHEMBL22912511 0.80 NPC1 (0.40) KDM1AMAOAMAOBHDAC1HDAC6
SCHEMBL18135204 0.77 KDM1A (0.37) KDM1AMAOAMAOBHDAC1HDAC6
SCHEMBL18136184 0.77 LMNA (0.39) KDM1AMAOAMAOBHDAC1HDAC6
SCHEMBL347423 0.77
SCHEMBL14538241 0.76 ALDH1A1 (0.59) IDO1KDM1AAGXTALDH1A1L3MBTL1
SCHEMBL4383791 0.76 IDO1 (0.48) IDO1HDAC1HDAC6HDAC5AGXT
SCHEMBL20373269 0.76 KDM1A (0.39) KDM1AMAOAMAOBHDAC1HDAC6
SCHEMBL4385293 0.76 AGXT (0.44) IDO1MAOAMAOBAGXTALDH1A1
SCHEMBL21312103 0.75 HDAC1 (0.39) KDM1AMAOAMAOBHDAC1HDAC6

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 5 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

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 IDO1 305/4885KDM1A 1271/4885MAOA 756/4885

“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.