SCHEMBL943328

SCHEMBL943328

CCOC(=N)c1cc(Cl)ccc1OC

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
ALDH1A1 P00352 6/20 0.49
MAPT P10636 2/20 0.48
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TSHR P16473 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HPGD P15428 2/20 0.44
KCNMA1 Q12791 3/20 0.44
KDM4E B2RXH2 2/20 0.43
DNMT3A Q9Y6K1 1/20 0.42
RECQL P46063 1/20 0.42

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
Hydrochloric Acid SCHEMBL944551 0.98 LMNA (0.52) LMNAALDH1A1MAPTGAAHTT
SCHEMBL17040989 0.87 TSHR (0.48) LMNAMAPTGAATSHRMEN1
SCHEMBL3734867 0.82 MAPT (0.50) ALDH1A1MAPTGAAHTTNPSR1
SCHEMBL10661478 0.81 TAS1R3 (0.44) LMNAALDH1A1MAPTTSHRMEN1
SCHEMBL4729820 0.81 LMNA (0.61) LMNAALDH1A1MAPTGAAHTT
Hydrochloric Acid SCHEMBL3734866 0.81 MAPT (0.49) ALDH1A1MAPTGAAHTTNPSR1
SCHEMBL7950395 0.80 PTGER1 (0.42) ALDH1A1MAPTTSHRKMT2AHPGD
Hydrochloric Acid SCHEMBL4693806 0.78 LMNA (0.39) LMNAALDH1A1GAAHTTTSHR
SCHEMBL10660436 0.78 TDP1 (0.47) LMNAALDH1A1MAPTTSHRMEN1
SCHEMBL18402979 0.77 LMNA (0.54) LMNAALDH1A1MAPTGAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865753-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2014-10-21 US disclosed
US-8835475-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2014-09-16 US disclosed
US-8501794-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2013-08-06 US disclosed
CN-102272111-A 1,2 -thiazol yl derivatives as cannabinoid receptor ligands 2011-12-07 CN disclosed
EP-2344463-A2 1,2 -THIAZOL YL DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2011-07-20 EP disclosed
US-20110086832-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2011-04-14 US disclosed
US-20110082116-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2011-04-07 US disclosed
US-7875640-B2 N-[(2Z)-3-butyl-4,5-dimethyl-1,3-thiazol-2(3H)-ylidene]-5-chloro-N',2-dimethoxybenzenecarboximidamide; CB2 receptors ligand; antiinflammatory, analgesic agent; autoimmune diseases; neuroprotectants ABBOTT LABORATORIES (US) 2011-01-25 US disclosed
US-7872033-B2 N-[(5Z)-4-butyl-2-tert-butylisothiazol-5(2H)-ylidene]-5-chloro-2-methoxybenzamide; CB2 receptors ligand; antiinflammatory, analgesic agent; autoimmune diseases; neuroprotectants ABBOTT LABORATORIES (US) 2011-01-18 US disclosed
US-20100234345-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-09-16 US disclosed
WO-2010054024-A2 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-05-14 WO disclosed
EP-2146973-A2 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2010-01-27 EP disclosed
EP-2142522-A1 1, 3-THIAZOL-2 (3H) -YLIDENE COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2010-01-13 EP disclosed
US-20090099183-A1 PYRIMIDINES AND USES THEREOF CELL THERAPEUTICS, INC. (US) 2009-04-16 US disclosed
US-20090023789-A1 N-[(5Z)-4-butyl-2-tert-butylisothiazol-5(2H)-ylidene]-5-chloro-2-methoxybenzamide; CB2 receptors ligand; antiinflammatory, analgesic agent; autoimmune diseases; neuroprotectants ABBOTT LABORATORIES (US) 2009-01-22 US disclosed
WO-2008130953-A2 2-IMIN0IS0THIAZ0LE DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2008-10-30 WO disclosed
WO-2008121558-A1 1, 3-THIAZOL-2 (3H) -YLIDENE COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2008-10-09 WO disclosed
US-20080242654-A1 N-[(2Z)-3-butyl-4,5-dimethyl-1,3-thiazol-2(3H)-ylidene]-5-chloro-N',2-dimethoxybenzenecarboximidamide; CB2 receptors ligand; antiinflammatory, analgesic agent; autoimmune diseases; neuroprotectants ABBOTT LABORATORIES (US) 2008-10-02 US disclosed
US-7419984-B2 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. (US) 2008-09-02 US disclosed
US-20040204386-A1 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. 2004-10-14 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 (7 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-20090023789-A1 N-[(5Z)-4-butyl-2-tert-butylisothiazol-5(2H)-ylidene]-5-chloro-2-methoxybenzamide; CB2 receptors ligand; antiinflammatory, analgesic agent; autoimmune diseases; neuroprotectants CNR2, CNR1, TBXA2R LMNA 2474/4885ALDH1A1 1737/4885MAPT 3161/4885
US-20040204386-A1 Pyrimidines and uses thereof LPCAT3, LPCAT1, APRT LMNA 1834/4885ALDH1A1 1326/4885MAPT 3800/4885
US-20080242654-A1 N-[(2Z)-3-butyl-4,5-dimethyl-1,3-thiazol-2(3H)-ylidene]-5-chloro-N',2-dimethoxybenzenecarboximidamide; CB2 receptors ligand; antiinflammatory, analgesic agent; autoimmune diseases; neuroprotectants CNR2, CNR1, TRPV1 LMNA 2741/4885ALDH1A1 1513/4885MAPT 3129/4885
US-20110086832-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 LMNA 3709/4885ALDH1A1 1147/4885MAPT 1934/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT LMNA 1671/4885ALDH1A1 1116/4885MAPT 3707/4885
US-20110082116-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 LMNA 4071/4885ALDH1A1 1465/4885MAPT 2290/4885
US-20100234345-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 LMNA 4163/4885ALDH1A1 1518/4885MAPT 2276/4885

“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.