SCHEMBL4376967

SCHEMBL4376967

O=S(=O)(c1ccc(Cl)cc1)N1CCC(=NOCc2ccc(Cl)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
GAA P10253 3/20 0.56
MAPT P10636 3/20 0.56
CYP2C19 P33261 2/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.50
LMNA P02545 4/20 0.50
PKM P14618 2/20 0.50
HTT P42858 1/20 0.50
POLB P06746 1/20 0.49
MAPK1 P28482 1/20 0.49
ATM Q13315 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
LSS P48449 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL4380726 0.94 ALDH1A1 (0.51) ALDH1A1GAAMAPTCYP2C19CYP3A4
SCHEMBL4380104 0.90 ALDH1A1 (0.50) ALDH1A1GAAMAPTCYP2C19CYP3A4
SCHEMBL4387319 0.90 ALDH1A1 (0.47) ALDH1A1GAAMAPTCYP2C19CYP3A4
SCHEMBL4388886 0.89 SMN1; SMN2 (0.48) ALDH1A1GAAMAPTCYP2C19CYP3A4
SCHEMBL4380815 0.88 GAA (0.53) ALDH1A1GAAMAPTCYP2C19CYP3A4
SCHEMBL4380383 0.85 CYP2C19 (0.46) ALDH1A1GAAMAPTCYP2C19CYP3A4
SCHEMBL4385591 0.85 CYP2C19 (0.46) ALDH1A1GAAMAPTCYP2C19CYP3A4
SCHEMBL4379571 0.83 CYP2C19 (0.56) ALDH1A1GAAMAPTCYP2C19CYP3A4
SCHEMBL4387323 0.81 ALDH1A1 (0.48) ALDH1A1GAAMAPTCYP2C19CYP3A4
SCHEMBL4385481 0.80 LMNA (0.49) ALDH1A1GAAMAPTKMT2ASMN1; SMN2

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
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 3245/4885MAPT 4378/4885

“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.