SCHEMBL696711

SCHEMBL696711

[c]1ccc(Cc2ccccc2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.46
ALDH1A1 P00352 3/20 0.44
HPGD P15428 1/20 0.44
LMNA P02545 2/20 0.38
TAAR1 Q96RJ0 4/20 0.37
CYP1A2 P05177 1/20 0.37
ADRA2A P08913 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SORT1 Q99523 1/20 0.35
BCL2 P10415 1/20 0.34

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
SCHEMBL696930 0.81 MAOA (0.40) ALDH1A1HPGDTAAR1SMN1; SMN2TDP1
SCHEMBL919851 0.79 ALDH1A1 (0.47) ALDH1A1TAAR1CYP1A2SMN1; SMN2TDP1
SCHEMBL919866 0.77 P2RX7 (0.43) ALDH1A1HPGDLMNATAAR1MEN1
SCHEMBL920581 0.77 PNMT (0.44) LMNATAAR1
SCHEMBL27968331 0.69 CALM1 (0.58) CALM1ALDH1A1HPGDLMNATSHR
SCHEMBL1264108 0.67
SCHEMBL919306 0.67 TSHR (0.43) HPGDLMNACYP1A2TSHRRAB9A
SCHEMBL1090652 0.67 LMNA (0.47) CALM1ALDH1A1HPGDLMNATAAR1
Diphenylmethane SCHEMBL14763944 0.66 CALM1 (1.00) CALM1ALDH1A1HPGDLMNATSHR
Diphenylmethane SCHEMBL1303 0.66 CALM1 (1.00) CALM1ALDH1A1HPGDLMNATSHR

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109096253-A 2-(4- pyridyl group) replace benzimidazoles compound and its aqueous emulsion prevention and treatment wheat powdery mildew in purposes 山东农业大学 2018-12-28 CN claimed
US-8362000-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-01-29 US claimed
EP-2421847-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
US-20110015171-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-01-20 US claimed
WO-2010124116-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
WO-2005005382-A2 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2005-01-20 WO claimed
US-6156774-A Beta-thiopropionyl-amino acid derivatives and their use as beta-lactamase inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2000-12-05 US claimed
EP-1000024-A1 MERCAPTOACYLAMINO ACIDS AS METALLO-BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2000-05-17 EP claimed
EP-0970062-A2 PYRROLIDINE AND THIAZOLE DERIVATIVES WITH METALLO-BETA-LACTAMASE INHIBITORY PROPERTIES SMITHKLINE BEECHAM PLC (GB) 2000-01-12 EP claimed
EP-0934262-A1 BETA-THIOPROPIONYL-AMINO ACID DERIVATIVES AND THEIR USE AS BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1999-08-11 EP claimed
WO-1999006365-A1 MERCAPTOACYLAMINO ACIDS AS METALLO-BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1999-02-11 WO claimed
WO-1998040056-A2 PYRROLIDINE AND THIAZOLE DERIVATIVES WITH METALLO-BETA-LACTAMASE INHIBITORY PROPERTIES SMITHKLINE BEECHAM PLC (GB) 1998-09-17 WO claimed
WO-1998017639-A1 BETA-THIOPROPIONYL-AMINO ACID DERIVATIVES AND THEIR USE AS BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1998-04-30 WO claimed
CN-103492404-B C-4' substituted macrolide derivatives 大正制药株式会社 2016-09-07 CN disclosed
US-8623858-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-01-07 US disclosed
US-20130123233-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2013-05-16 US disclosed
WO-1999006365-A1 MERCAPTOACYLAMINO ACIDS AS METALLO-BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1999-02-11 WO disclosed
WO-1998040056-A2 PYRROLIDINE AND THIAZOLE DERIVATIVES WITH METALLO-BETA-LACTAMASE INHIBITORY PROPERTIES SMITHKLINE BEECHAM PLC (GB) 1998-09-17 WO disclosed
WO-1998017639-A1 BETA-THIOPROPIONYL-AMINO ACID DERIVATIVES AND THEIR USE AS BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1998-04-30 WO disclosed
CN-1120837-A Pyrazole derivatives NISSAN CHEMICAL IND LTD (JP) 1996-04-17 CN 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-20110015171-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA CALM1 3263/4885ALDH1A1 364/4885HPGD 731/4885
US-20130123233-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA CALM1 3263/4885ALDH1A1 364/4885HPGD 731/4885

“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.