Sugi Predict

Sugi Predict / Compounds / SCHEMBL345233

SCHEMBL345233

SCHEMBL345233

COc1ccc(Cl)cc1C(=O)Nc1ncc(C)s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 4/20 0.65
▸ ALDH1A1 P00352 4/20 0.61
▸ NPC1 O15118 4/20 0.61
▸ RAB9A P51151 4/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ LMNA P02545 2/20 0.61
▸ MITF O75030 1/20 0.61
▸ KDM4E B2RXH2 3/20 0.60
▸ HPGD P15428 2/20 0.60
▸ HSD17B10 Q99714 1/20 0.60
▸ GAA P10253 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ RXFP1 Q9HBX9 1/20 0.54
▸ MAPT P10636 3/20 0.54
▸ KMT2A Q03164 4/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ NFKB1 P19838 1/20 0.53
▸ NFKB2 Q00653 1/20 0.53
▸ RELA Q04206 1/20 0.53
▸ POLB P06746 1/20 0.52

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
SCHEMBL345091 0.89 KCNMA1 (0.67) KCNMA1ALDH1A1NPC1RAB9ALMNA
SCHEMBL10114134 0.88 RAB9A (0.51) KCNMA1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL343717 0.87 KCNMA1 (0.64) KCNMA1ALDH1A1NPC1RAB9ALMNA
SCHEMBL5835868 0.85 KCNMA1 (0.61) KCNMA1ALDH1A1NPC1LMNAKDM4E
SCHEMBL345604 0.85 KCNMA1 (0.61) KCNMA1ALDH1A1NPC1RAB9ALMNA
SCHEMBL343933 0.85 RAB9A (0.58) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL17770536 0.84 KCNMA1 (0.60) KCNMA1ALDH1A1NPC1RAB9ALMNA
SCHEMBL10114085 0.84 KCNMA1 (0.61) KCNMA1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL27134454 0.82 RAB9A (0.60) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL14825055 0.82 RAB9A (0.58) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA

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 17 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-8841334-B2 Compounds as cannabinoid receptor ligands and uses thereof ABBVIE INC. (US) 2014-09-23 — — US disclosed
EP-2222165-B1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC (US) 2013-07-31 — — EP disclosed
US-8338467-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2012-12-25 — — US disclosed
US-20120015929-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2012-01-19 — — US disclosed
US-8058293-B2 Compounds as cannabinoid receptor ligands ABBOTT LABORATORIES (US) 2011-11-15 — — US disclosed
US-20110086832-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2011-04-14 — — 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
EP-2274306-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2011-01-19 — — EP disclosed
EP-2222165-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-09-01 — — EP disclosed
US-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-04-15 — — US disclosed
EP-2142522-A1 1, 3-THIAZOL-2 (3H) -YLIDENE COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2010-01-13 — — EP disclosed
US-20090247500-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-10-01 — — US disclosed
WO-2009114566-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-09-17 — — WO disclosed
WO-2009067613-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-05-28 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-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 KCNMA1 910/4885ALDH1A1 1513/4885NPC1 1822/4885
US-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 KCNMA1 1529/4885ALDH1A1 898/4885NPC1 523/4885
US-20110086832-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 KCNMA1 1419/4885ALDH1A1 1147/4885NPC1 821/4885
US-20120015929-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, OPRL1 KCNMA1 1302/4885ALDH1A1 1685/4885NPC1 537/4885
US-20090247500-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, OPRL1 KCNMA1 1302/4885ALDH1A1 1685/4885NPC1 537/4885

“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.