SCHEMBL147442

SCHEMBL147442

O=S(=O)(c1ccccc1)n1ccc2c[c]ccc21

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 15/20 0.66
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
HTT P42858 2/20 0.66
ALDH1A1 P00352 1/20 0.66
LMNA P02545 1/20 0.66
HPGD P15428 1/20 0.66
TSHR P16473 1/20 0.66
L3MBTL1 Q9Y468 2/20 0.52
POLB P06746 1/20 0.52
PKM P14618 1/20 0.51
CYP3A4 P08684 1/20 0.47
MET P08581 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL27913929 0.88 HTR6 (0.66) HTR6MEN1KMT2AHTTALDH1A1
SCHEMBL5885620 0.85 L3MBTL1 (0.48) HTR6MEN1KMT2AHTTALDH1A1
SCHEMBL29558135 0.80 HTR6 (1.00) HTR6MEN1KMT2AHTTALDH1A1
SCHEMBL429849 0.80 HTR6 (1.00) HTR6MEN1KMT2AHTTALDH1A1
Hydrochloric Acid SCHEMBL28794299 0.78 HTR6 (0.96) HTR6MEN1KMT2AHTTALDH1A1
SCHEMBL2302805 0.77 HTR6 (0.42) HTR6MEN1KMT2AHTTALDH1A1
SCHEMBL5068595 0.76 HTR6 (0.39) HTR6MEN1KMT2AHTTALDH1A1
SCHEMBL3213994 0.73 L3MBTL1 (0.48) HTR6MEN1KMT2AHTTALDH1A1
SCHEMBL15757393 0.73 HTR6 (0.65) HTR6MEN1KMT2AHTTALDH1A1
SCHEMBL29744143 0.73 HTR6 (0.65) HTR6MEN1KMT2AHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611774-B1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-03-18 EP claimed
US-8759533-B2 Di-azetidinyl diamide as monoacylglcerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-06-24 US claimed
US-20130196968-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-08-01 US claimed
EP-2611774-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2013-07-10 EP claimed
US-8399454-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-03-19 US claimed
US-20120058986-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-08 US claimed
WO-2012030907-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2012-03-08 WO claimed
EP-2421824-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
US-20110015170-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-01-20 US claimed
WO-2010124114-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
EP-1444211-B1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-01-21 EP claimed
US-20070088044-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-19 US claimed
EP-2611774-B1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-03-18 EP disclosed
US-8759533-B2 Di-azetidinyl diamide as monoacylglcerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-06-24 US disclosed
US-8759333-B2 Di-azetidinyl diamide as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-06-24 US disclosed
US-8722658-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-05-13 US disclosed
WO-2003040108-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 WO disclosed
WO-2003040109-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 WO disclosed
EP-1028964-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE DERIVATIVES USEFUL AS ANTICANCER AGENTS Pfizer Products Inc. (US) 2000-08-23 EP disclosed
WO-1999024440-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 1999-05-20 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-20070088044-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 HTR6 1693/4885MEN1 2352/4885KMT2A 1786/4885
US-20110015170-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA HTR6 3097/4885MEN1 1953/4885KMT2A 1573/4885
US-20130196968-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS MGLL, PNLIP, LPL HTR6 3697/4885MEN1 2640/4885KMT2A 2355/4885
US-20120058986-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA HTR6 2936/4885MEN1 3178/4885KMT2A 2049/4885

“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.