SCHEMBL3633308

SCHEMBL3633308

O=[N+]([O-])c1ccc(-c2cnc(C3(O)CCCC3)s2)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
LMNA P02545 3/20 0.37
CYP1A2 P05177 2/20 0.37
ALDH1A1 P00352 2/20 0.37
ALOX12 P18054 2/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
DPP4 P27487 2/20 0.36
ADRA2A P08913 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
SLC2A1 P11166 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
XDH P47989 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP2C9 P11712 1/20 0.33
HPGD P15428 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
SCHEMBL3632149 0.89 ALDH1A1 (0.41) MAPTLMNACYP1A2ALDH1A1ALOX12
SCHEMBL3626448 0.74 XDH (0.47) MAPTLMNACYP1A2ALDH1A1GAA
SCHEMBL2039886 0.72 SYK (0.39) ALDH1A1GAAXDH
SCHEMBL14340900 0.70 SLC2A1 (0.40) MAPTLMNACYP1A2ALDH1A1ALOX12
SCHEMBL3156019 0.69 MAPT (0.52) MAPTLMNACYP1A2ALDH1A1ALOX12
SCHEMBL14340899 0.68 ALDH1A1 (0.39) MAPTLMNACYP1A2ALDH1A1ALOX12
SCHEMBL14018441 0.68 LMNA (0.46) MAPTLMNACYP1A2ALDH1A1ALOX12
SCHEMBL5903956 0.68 KDM4E (0.51) MAPTLMNACYP1A2ALDH1A1GAA
SCHEMBL8974165 0.68 NPC1 (0.53) MAPTLMNACYP1A2ALDH1A1ALOX12
SCHEMBL14340904 0.68 CYP2C19 (0.39) MAPTLMNACYP1A2ALDH1A1GAA

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 9 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
CN-103641823-A Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme ABBVIE INC 2014-03-19 CN 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
CN-101743234-A Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme ABBOTT LAB 2010-06-16 CN 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 MAPT 2094/4885LMNA 3923/4885CYP1A2 1140/4885
US-20120277223-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME DGAT1, DGAT2, LCAT MAPT 2094/4885LMNA 3923/4885CYP1A2 1140/4885

“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.