SCHEMBL4384838

SCHEMBL4384838

O=S(=O)(c1cccc2cccnc12)N1CCC(=NOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FABP1 P07148 4/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ ALDH1A1 P00352 4/20 0.48
▸ GAA P10253 1/20 0.48
▸ HTR2A P28223 1/20 0.48
▸ HTR2C P28335 1/20 0.48
▸ MAPT P10636 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ ALOX15 P16050 1/20 0.46
▸ KCNT2 Q6UVM3 1/20 0.46
▸ TSHR P16473 2/20 0.44
▸ GFER P55789 1/20 0.44

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
SCHEMBL4385542 0.81 KDM4E (0.41) FABP1GAA
SCHEMBL4377766 0.79 NR3C1 (0.40) L3MBTL1ALDH1A1MAPTMAPK1TSHR
SCHEMBL4377015 0.79 PKM (0.46) ALDH1A1GAAMAPTTSHRGFER
SCHEMBL4388922 0.78 L3MBTL1 (0.44) L3MBTL1ALDH1A1GAA
SCHEMBL4381279 0.77 PKM (0.49) L3MBTL1ALDH1A1GAAMAPT
SCHEMBL4385272 0.77 PKM (0.54) L3MBTL1ALDH1A1HTR2AHTR2CMAPT
SCHEMBL4378960 0.77 PKM (0.43) ALDH1A1HTR2AHTR2CMAPTTSHR
SCHEMBL12656093 0.77 L3MBTL1 (0.72) FABP1L3MBTL1ALDH1A1GAAMAPT
SCHEMBL4376961 0.77 PKM (0.50) L3MBTL1ALDH1A1GAAHTR2AHTR2C
SCHEMBL4380941 0.77 CHRM1 (0.39) L3MBTL1ALDH1A1

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-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
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 FABP1 4156/4885L3MBTL1 2099/4885ALDH1A1 2105/4885

“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.

Send feedback