SCHEMBL4388922

SCHEMBL4388922

O=S(=O)(c1cccnc1)N1CCC(=NOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ SCN9A Q15858 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SSTR5 P35346 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ PKM P14618 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ NAMPT P43490 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP3A5 P20815 1/20 0.40
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNB4 P30926 1/20 0.40
▸ CHRNA3 P32297 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40
▸ CYP17A1 P05093 1/20 0.39
▸ CYP21A2 P08686 1/20 0.39

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
SCHEMBL4381279 0.85 PKM (0.49) L3MBTL1KDM4EPOLBALDH1A1PKM
SCHEMBL4393768 0.84 KMT2A (0.47) PKMCYP2C9MEN1KMT2AGAA
SCHEMBL4392624 0.82 GAA (0.40) KDM4EALDH1A1PKMHPGDCYP2C9
SCHEMBL4380728 0.81 GAA (0.51) L3MBTL1KDM4EALDH1A1PKMCYP2C9
SCHEMBL4382575 0.80 KMT2A (0.52) L3MBTL1POLBALDH1A1PKMMEN1
SCHEMBL4393245 0.80 PKM (0.40) KDM4EPOLBALDH1A1PKMHPGD
SCHEMBL4385542 0.80 KDM4E (0.41) KDM4EPOLBPKMCYP2C9MEN1
SCHEMBL4384919 0.79 HTT (0.48) KDM4EPKMHPGDGAA
SCHEMBL4385228 0.79 PKM (0.44) ALDH1A1PKMCYP2C9MEN1KMT2A
SCHEMBL4377730 0.78 GPR183 (0.41) SCN9APOLBALDH1A1PKMCYP2C9

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
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

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 L3MBTL1 2099/4885KDM4E 560/4885SCN9A 270/4885

“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.

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