SCHEMBL4395263

SCHEMBL4395263

N#Cc1cccc(C(ON=C2CCN(S(=O)(=O)c3ccc(Cl)nc3)CC2)C2CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
ALDH1A1 P00352 3/20 0.38
CYP2D6 P10635 1/20 0.38
CCR6 P51684 2/20 0.36
THRB P10828 1/20 0.36
PKM P14618 1/20 0.35
GAA P10253 2/20 0.35
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
IKBKB O14920 1/20 0.34
CHUK O15111 1/20 0.34
LMNA P02545 1/20 0.34
CHRM5 P08912 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
CNR1 P21554 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
SCHEMBL4377019 0.91 TRPV4 (0.36) CCR6GAACCNA2CDK2IKBKB
SCHEMBL4387316 0.87 CCR6 (0.47) CCR6CCNA2CDK2
SCHEMBL4393938 0.86 CCR6 (0.47) CCR6GAACCNA2CDK2LMNA
SCHEMBL4382730 0.82 MEN1 (0.42) CCR6GAA
SCHEMBL8217724 0.70 CCR6 (0.46) CCR6GAACCNA2CDK2LMNA
SCHEMBL8222252 0.68 KMT2A (0.53) ALDH1A1GAALMNA
SCHEMBL4395257 0.68 CYP11B1 (0.43) IKBKBCHUKLMNA
SCHEMBL4380268 0.68 SCN9A (0.47) PKMGAA
SCHEMBL4378899 0.67 MEN1 (0.42) GAAL3MBTL1
SCHEMBL4382938 0.67 MEN1 (0.41) GAAL3MBTL1

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 POLB 4671/4885ALDH1A1 2105/4885CYP2D6 131/4885

“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.