SCHEMBL3632149

SCHEMBL3632149

O=[N+]([O-])c1ccc(-c2cnc(C3(O)CCOCC3)s2)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
GAA P10253 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 6/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
SLC2A1 P11166 1/20 0.33
LMNA P02545 4/20 0.33
AKR1C3 P42330 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ATM Q13315 1/20 0.33
XDH P47989 1/20 0.33
ALOX12 P18054 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL3633308 0.89 MAPT (0.38) ALDH1A1CYP1A2CYP2C9HPGDGAA
SCHEMBL3626448 0.86 XDH (0.47) ALDH1A1CYP1A2CYP2C9HPGDGAA
SCHEMBL3632095 0.79 SYK (0.33)
SCHEMBL14340899 0.71 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP2C9HPGDGAA
SCHEMBL14340900 0.68 SLC2A1 (0.40) ALDH1A1CYP1A2CYP2C9HPGDGAA
SCHEMBL3156019 0.67 MAPT (0.52) ALDH1A1CYP1A2CYP2C9HPGDGAA
SCHEMBL14018441 0.66 LMNA (0.46) ALDH1A1CYP1A2CYP2C9HPGDGAA
SCHEMBL5903956 0.65 KDM4E (0.51) ALDH1A1CYP1A2GAAMAPTKMT2A
SCHEMBL8974165 0.65 NPC1 (0.53) ALDH1A1CYP1A2GAAMAPTKMT2A
SCHEMBL3634429 0.65 CYP11B2 (0.30)

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8901152-B2 Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme ABBVIE INC. (US) 2014-12-02 US disclosed
US-20120277223-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBVIE INC. 2012-11-01 US disclosed
US-8242139-B2 Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme ABBOTT LABORATORIES (US) 2012-08-14 US disclosed
EP-2452937-A1 Inhibitors of diacylglycerol o-acyltransferase type 1 enzyme Abbott Laboratories (US) 2012-05-16 EP disclosed
EP-2142521-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME Abbott Laboratories (US) 2010-01-13 EP disclosed
US-20080312282-A1 Inhibitors of Diacylglycerol O-acyltransferase Type 1 Enzyme ABBOTT LABORATORIES (US) 2008-12-18 US disclosed
WO-2008134693-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2008-11-06 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 (2 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-20080312282-A1 Inhibitors of Diacylglycerol O-acyltransferase Type 1 Enzyme DGAT1, DGAT2, LCAT ALDH1A1 276/4885CYP1A2 1140/4885CYP2C9 2061/4885
US-20120277223-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME DGAT1, DGAT2, LCAT ALDH1A1 276/4885CYP1A2 1140/4885CYP2C9 2061/4885

“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.