SCHEMBL4387323

SCHEMBL4387323

O=S(=O)(c1ccccn1)N1CCC(=NOCc2ccc(Cl)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
GAA P10253 3/20 0.48
CYP2C19 P33261 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
PKM P14618 4/20 0.43
KDM4E B2RXH2 1/20 0.43
SCN5A Q14524 1/20 0.40
PKLR P30613 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
POLB P06746 1/20 0.37
SLC6A9 P48067 1/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL4376967 0.81 ALDH1A1 (0.56) ALDH1A1GAACYP2C19CYP2C9CYP3A4
SCHEMBL4379437 0.81 L3MBTL1 (0.51) ALDH1A1GAACYP2C19MAPTSMN1; SMN2
SCHEMBL4380383 0.80 CYP2C19 (0.46) ALDH1A1GAACYP2C19CYP2C9CYP3A4
SCHEMBL4380815 0.78 GAA (0.53) ALDH1A1GAACYP2C19CYP2C9CYP3A4
SCHEMBL4380726 0.76 ALDH1A1 (0.51) ALDH1A1GAACYP2C19CYP2C9CYP3A4
SCHEMBL4388899 0.76 PKM (0.37) GAACYP2C9CYP3A4PKMPKLR
SCHEMBL4385591 0.75 CYP2C19 (0.46) ALDH1A1GAACYP2C19CYP2C9CYP3A4
SCHEMBL4380104 0.73 ALDH1A1 (0.50) ALDH1A1GAACYP2C19CYP2C9CYP3A4
SCHEMBL4387319 0.73 ALDH1A1 (0.47) ALDH1A1GAACYP2C19CYP2C9CYP3A4
SCHEMBL4379571 0.73 CYP2C19 (0.56) ALDH1A1GAACYP2C19CYP2C9CYP3A4

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 2105/4885GAA 3245/4885CYP2C19 162/4885

“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.