SCHEMBL4154386

SCHEMBL4154386

CCOC(=O)c1cnc([S+](C)[O-])nc1OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.51
MAOB P27338 2/20 0.51
LMNA P02545 2/20 0.46
MAPT P10636 5/20 0.44
RAB9A P51151 4/20 0.43
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTT P42858 1/20 0.41
KDR P35968 1/20 0.41
JMJD7 P0C870 1/20 0.41
KCNJ1 P48048 1/20 0.41
KCNH2 Q12809 1/20 0.41
PTPN11 Q06124 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
SCHEMBL4140948 0.82 L3MBTL1 (0.52) L3MBTL1MAOBLMNAMAPTRAB9A
SCHEMBL25209893 0.81 CYP1A2 (0.43) L3MBTL1LMNAMAPTRAB9AGAA
SCHEMBL14653206 0.79 PDE5A (0.46)
SCHEMBL16116534 0.79 MAOB (0.40) L3MBTL1MAOBMAPTSMN1; SMN2KDM4E
SCHEMBL25436320 0.78 ALDH1A1 (0.45) L3MBTL1LMNAMAPTRAB9AGAA
SCHEMBL4148799 0.77 LMNA (0.53) L3MBTL1MAOBLMNAMAPTRAB9A
SCHEMBL25215754 0.76 ALDH1A1 (0.43) L3MBTL1LMNAMAPTRAB9AGAA
SCHEMBL25252195 0.75 KDM4E (0.40) L3MBTL1LMNAMAPTRAB9AGAA
SCHEMBL16116591 0.71 CYP1A2 (0.37) L3MBTL1MAOBMAPTKDM4EMEN1
SCHEMBL14653367 0.71 PDE5A (0.44) LMNAMAPTGAASMN1; SMN2KDM4E

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-20090227587-A1 Pyrimidines as inhibitors of phosphoinositide-3-kinases (PI3K) WARNER-LAMBERT COMPANY LLC 2009-09-10 US disclosed
EP-1682532-B1 PYRIMIDINES AS INHIBITORS OF PHOSPHOINOSITIDE-3-KINASES (PI3K) WARNER LAMBERT CO (US) 2007-06-27 EP disclosed
EP-1682532-A1 PYRIMIDINES AS INHIBITORS OF PHOSPHOINOSITIDE-3-KINASES (PI3K) Warner-Lambert Company LLC (US) 2006-07-26 EP disclosed
WO-2005042519-A1 PYRIMIDINES AS INHIBITORS OF PHOSPHOINOSITIDE -3-KINASES (PI3K) WARNER-LAMBERT COMPANY LLC (US) 2005-05-12 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-20090227587-A1 Pyrimidines as inhibitors of phosphoinositide-3-kinases (PI3K) PIK3CA, PIK3CD, PIK3R5 L3MBTL1 2418/4885MAOB 3167/4885LMNA 4458/4885

“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.