SCHEMBL4383791

SCHEMBL4383791

NOCc1ncccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 12/20 0.48
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
DPP4 P27487 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AGXT P21549 4/20 0.38
CYP3A4 P08684 2/20 0.37
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 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
SCHEMBL22912509 0.80 NPC1 (0.40) HDAC1HDAC6DPP4HDAC5NPC1
SCHEMBL17654897 0.77 NPC1 (0.38) HDAC1HDAC6DPP4HDAC5NPC1
SCHEMBL4353450 0.77
SCHEMBL4386016 0.76 IDO1 (0.48) IDO1HDAC1HDAC6HDAC5NPC1
SCHEMBL14538241 0.76 ALDH1A1 (0.59) IDO1NPC1RAB9ASMN1; SMN2AGXT
Hydrochloric Acid SCHEMBL4537543 0.75 DPP4 (0.49) DPP4NPC1RAB9A
SCHEMBL4347152 0.74
SCHEMBL25228007 0.73 ACACB (0.35) HDAC1HDAC6HDAC5NPC1RAB9A
SCHEMBL27945069 0.73 NPC1 (0.42) HDAC1HDAC6HDAC5NPC1RAB9A
SCHEMBL31317483 0.73 ACACB (0.35) HDAC1HDAC6HDAC5NPC1RAB9A

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 IDO1 305/4885HDAC1 2708/4885HDAC6 2743/4885

“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.