SCHEMBL534039

SCHEMBL534039

Fc1cccc(-c2cc[c]cc2)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.39
BCAT1 P54687 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CNR2 P34972 1/20 0.36
PGR P06401 2/20 0.35
CES2 O00748 1/20 0.34
BCHE P06276 1/20 0.34
CES1 P23141 1/20 0.34
CCNE2 O96020 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
DHODH Q02127 1/20 0.33
HSD11B1 P28845 1/20 0.33
GRM5 P41594 1/20 0.31
SLC9A1 P19634 1/20 0.31
GRIN1 Q05586 2/20 0.31

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
SCHEMBL13263254 0.84 WDR5 (0.47) WDR5BCAT1HDAC3HDAC1HDAC2
SCHEMBL433551 0.82 L3MBTL1 (0.43)
SCHEMBL8912329 0.80 CES2 (0.32) CES2CES1PDE3BPDE3A
SCHEMBL200742 0.79 ALDH1A1 (0.42) WDR5HDAC3HDAC1HDAC2HDAC8
SCHEMBL3540772 0.79 CYP2A6 (0.40) GRIN1GRIN2B
SCHEMBL3538299 0.79 CTSA (0.33) CNR2
SCHEMBL28385819 0.79 CD274 (0.36) GRM5
SCHEMBL2753760 0.78 BCAT1 (0.35) WDR5BCAT1HDAC3HDAC1HDAC2
Methane SCHEMBL28995944 0.77 ALDH1A1 (0.41) WDR5HDAC3HDAC1HDAC2HDAC8
SCHEMBL27346716 0.77 ALDH1A1 (0.41) WDR5HDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362001-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-01-29 US claimed
EP-2421848-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
US-20100331300-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-30 US claimed
WO-2010124119-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
US-5651919-A Benzyl ether derivative and composition containing the same CITIZEN WATCH CO., LTD. (JP) 1997-07-29 US claimed
CN-114773249-A Compounds, pharmaceutical compositions and methods for treating inflammatory diseases 艾匹克治疗公司 2022-07-22 CN disclosed
EP-2415763-B1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA UBE INDUSTRIES (JP) 2016-01-27 EP disclosed
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE INDUSTRIES, LTD. (JP) 2014-04-24 US disclosed
US-8648097-B2 Pyridylaminoacetic acid compound UBE INDUSTRIES, LTD. (JP) 2014-02-11 US disclosed
US-8604017-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-12-10 US disclosed
US-20130102585-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2013-04-25 US disclosed
US-8362001-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-01-29 US disclosed
WO-2010124119-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods BASF SE (DE) 2010-03-25 US disclosed
US-20100069243-A1 Pyrimidylmethyl-Sulfonamide Compounds BASF SE (DE) 2010-03-18 US disclosed
EP-1028945-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS Amgen Inc. (US) 2000-08-23 EP disclosed
WO-1999024404-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC. (US) 1999-05-20 WO disclosed
CN-1042289-C Herbicidal picolinamide derivatives SHELL INT RESEARCH (NL) 1999-03-03 CN disclosed
US-4151302-A Araliphatic dihalogen compounds composition and method of use MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1979-04-24 US disclosed
US-4057647-A Araliphatic dihalogen compounds and process for their preparation MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-11-08 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-20100069243-A1 Pyrimidylmethyl-Sulfonamide Compounds TPMT, NISCH, PPA1 WDR5 2175/4885BCAT1 2341/4885HDAC3 2691/4885
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 WDR5 3407/4885BCAT1 278/4885HDAC3 1066/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 WDR5 2333/4885BCAT1 3751/4885HDAC3 225/4885
US-20130102585-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA WDR5 1888/4885BCAT1 2294/4885HDAC3 2573/4885
US-20100331300-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA WDR5 1888/4885BCAT1 2294/4885HDAC3 2573/4885

“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.