SCHEMBL4384490

SCHEMBL4384490

O=S(=O)(c1ccc(NCc2ccccc2)nc1)N1CCC(=NOCc2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
ATM Q13315 1/20 0.49
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 2/20 0.48
LMNA P02545 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 3/20 0.41
HTT P42858 1/20 0.41
VNN1 O95497 3/20 0.40
CCR6 P51684 1/20 0.40
CYP2C19 P33261 1/20 0.40
TP53 P04637 2/20 0.39
HPGD P15428 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 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
SCHEMBL4386010 0.90 KDM4E (0.47) L3MBTL1ATMALDH1A1KDM4ELMNA
SCHEMBL13588993 0.89 L3MBTL1 (0.45) L3MBTL1ATMALDH1A1KDM4ELMNA
SCHEMBL4395449 0.87 CCR6 (0.49) L3MBTL1ATMALDH1A1LMNASMN1; SMN2
SCHEMBL4380224 0.86 LMNA (0.45) ALDH1A1KDM4ELMNASMN1; SMN2MAPT
SCHEMBL4395322 0.86 LMNA (0.45) ALDH1A1KDM4ELMNASMN1; SMN2MAPT
SCHEMBL4380169 0.85 SMN1; SMN2 (0.47) L3MBTL1ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL4385253 0.84 LMNA (0.45) L3MBTL1ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL4379552 0.84 LMNA (0.52) ALDH1A1LMNASMN1; SMN2MAPTHTT
SCHEMBL4380308 0.83 LMNA (0.47) L3MBTL1ATMALDH1A1KDM4ELMNA
SCHEMBL4381146 0.82 LMNA (0.46) ATMALDH1A1KDM4ELMNASMN1; 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 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 2099/4885ATM 4309/4885ALDH1A1 2105/4885

“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.