SCHEMBL1172432

SCHEMBL1172432

COc1cccc(C(O)c2nnc(C)o2)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSA P10619 12/20 0.51
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
BRD4 O60885 1/20 0.46
AOC3 Q16853 2/20 0.43
PKM P14618 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL12746073 1.00 CTSA (0.51) CTSALMNAHPGDALOX15TSHR
SCHEMBL12879472 0.84 CTSA (0.47) CTSA
SCHEMBL2093768 0.78 AOC3 (0.59) TSHRMAPK1BRD4AOC3PKM
SCHEMBL12746075 0.75 LMNA (0.71) CTSALMNAHPGDALOX15TSHR
SCHEMBL1171873 0.75 LMNA (0.71) CTSALMNAHPGDALOX15TSHR
SCHEMBL477338 0.73 AOC3 (0.54) BRD4AOC3PKML3MBTL1
SCHEMBL4822561 0.73 AOC3 (0.54) TSHRMAPK1BRD4AOC3PKM
SCHEMBL27686957 0.73 AOC3 (0.54) BRD4AOC3PKML3MBTL1
SCHEMBL23882846 0.71 ROCK1 (0.50) MAPK1BRD4AOC3PKML3MBTL1
SCHEMBL23882848 0.71 ROCK1 (0.50) MAPK1BRD4AOC3PKML3MBTL1

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-9102622-B2 Fatty acid amide hydrolase inhibitors UNIVERSITY OF CONNECTICUT (US) 2015-08-11 US disclosed
US-20110071178-A1 Methods and Compounds for Modulating Cannabinoid Activity NORTHEASTERN UNIVERSITY (US) 2011-03-24 US disclosed
US-20110039874-A1 MONOACYLGLYCEROL LIPASE INHIBITORS FOR MODULATION OF CANNABINOID ACTIVITY NORTHEASTERN UNIVERSITY (US) 2011-02-17 US disclosed
US-20100234379-A1 Dual modulation of endocannabinoid transport and fatty-acid amide hydrolase for treatment of excitotoxicity CONNECTICUT, UNIVERSITY OF 2010-09-16 US disclosed
EP-2203412-A1 MONOACYLGLYCEROL LIPASE INHIBITORS FOR MODULATION OF CANNABINOID ACTIVITY NORTHEASTERN UNIVERSITY (US) 2010-07-07 EP disclosed
US-20090306016-A1 FATTY ACID AMIDE HYDROLASE INHIBITORS UNIVERSITY OF CONNECTICUT 2009-12-10 US disclosed
EP-2051964-A2 FATTY ACID AMIDE HYDROLASE INHIBITORS University of Connecticut (US) 2009-04-29 EP disclosed
WO-2009052319-A1 MONOACYLGLYCEROL LIPASE INHIBITORS FOR MODULATION OF CANNABINOID ACTIVITY NORTHEASTERN UNIVERSITY (US) 2009-04-23 WO disclosed
WO-2008013963-A2 FATTY ACID AMIDE HYDROLASE INHIBITORS UNIVERSITY OF CONNECTICUT (US) 2008-01-31 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 (4 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-20110039874-A1 MONOACYLGLYCEROL LIPASE INHIBITORS FOR MODULATION OF CANNABINOID ACTIVITY MGLL, FAAH, FAAH2 CTSA 268/4885LMNA 2518/4885HPGD 952/4885
US-20090306016-A1 FATTY ACID AMIDE HYDROLASE INHIBITORS FAAH, FAAH2, CNR2 CTSA 380/4885LMNA 4375/4885HPGD 524/4885
US-20100234379-A1 Dual modulation of endocannabinoid transport and fatty-acid amide hydrolase for treatment of excitotoxicity FAAH, FAAH2, CNR2 CTSA 37/4885LMNA 3975/4885HPGD 1848/4885
US-20110071178-A1 Methods and Compounds for Modulating Cannabinoid Activity FAAH, FAAH2, CNR2 CTSA 573/4885LMNA 2779/4885HPGD 833/4885

“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.