SCHEMBL4377720

SCHEMBL4377720

O=[N+]([O-])c1ccc(CON=C2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
CYP3A4 P08684 1/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
PGR P06401 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
FAAH O00519 3/20 0.42
MGLL Q99685 1/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL4393199 0.88 LIPE (0.46) ALDH1A1CYP2C9SMN1; SMN2KMT2AMEN1
SCHEMBL4390246 0.87 MEN1 (0.41) CYP2C9KMT2AMEN1
SCHEMBL4388886 0.87 SMN1; SMN2 (0.48) ALDH1A1CYP3A4GAAMAPTCYP2C9
SCHEMBL4383840 0.84 MEN1 (0.46) ALDH1A1CYP3A4GAACYP2C9SMN1; SMN2
SCHEMBL4380318 0.82 MEN1 (0.39) GAACYP2C9SMN1; SMN2HTTKMT2A
SCHEMBL13589005 0.82 MEN1 (0.39) ALDH1A1MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL4387768 0.81 CYP2C19 (0.42) ALDH1A1CYP2C19SMN1; SMN2POLBKMT2A
SCHEMBL4384935 0.81 LMNA (0.49) ALDH1A1CYP3A4GAAMAPTCYP2C9
SCHEMBL4391160 0.80 KMT2A (0.55) ALDH1A1GAAMAPTSMN1; SMN2LMNA
SCHEMBL4380572 0.80 MEN1 (0.43) ALDH1A1GAACYP2C9SMN1; SMN2LMNA

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 ALDH1A1 2105/4885CYP3A4 108/4885GAA 3245/4885

“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.