SCHEMBL8340504

SCHEMBL8340504

CCc1cccc(OC)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
ALOX5 P09917 1/20 0.43
PTGS2 P35354 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
IDO1 P14902 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA4 P22748 1/20 0.42
HTR1A P08908 2/20 0.42
DRD2 P14416 2/20 0.42
DRD4 P21917 2/20 0.42
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
DRD3 P35462 2/20 0.42
MAPT P10636 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
SCHEMBL7672632 0.86 IDO1 (0.41) ALOX5PTGS2L3MBTL1IDO1TAAR1
SCHEMBL7737265 0.85 HTR2A (0.43) L3MBTL1HTR1ADRD2DRD4HTR2A
SCHEMBL20809956 0.84 ALOX5 (0.49) KDM4EALOX5PTGS2IDO1TAAR1
SCHEMBL18901017 0.83 PNMT (0.54) IDO1TAAR1CA12CA1CA2
SCHEMBL1415272 0.83 IDO1 (0.42) KDM4EALOX5PTGS2IDO1TAAR1
SCHEMBL17266361 0.82 IDO1 (0.41) KDM4EALOX5PTGS2IDO1TAAR1
SCHEMBL7672640 0.82 PDE4A (0.44) KDM4EALOX5PTGS2L3MBTL1IDO1
SCHEMBL26668044 0.82 IDO1 (0.41) KDM4EALOX5PTGS2IDO1TAAR1
SCHEMBL12949882 0.81 IDO1 (0.42) KDM4EALOX5PTGS2L3MBTL1IDO1
SCHEMBL26654610 0.81 ALDH1A1 (0.42) IDO1TAAR1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 US disclosed
US-10745356-B2 Compositions and methods for treating tuberculosis THE BROAD INSTITUTE, INC. (US) 2020-08-18 US disclosed
US-20200102311-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 US disclosed
WO-2020037350-A1 ADAMANTANYL-SUBSTITUTED BENZAMIDE COMPOUNDS AND THEIR USE AS P2X7 RECEPTOR ANTAGONISTS THE UNIVERSITY OF SYDNEY (AU) 2020-02-27 WO disclosed
US-20190284140-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS THE BROAD INSTITUTE, INC. 2019-09-19 US disclosed
US-10329257-B2 Compositions and methods for treating tuberculosis THE BROAD INSTITUTE, INC. (US) 2019-06-25 US disclosed
WO-2019059161-A1 PYRIDONE COMPOUND AND AGRICULTURAL AND HORTICULTURAL GERMICIDE HAVING SAME AS ACTIVE INGREDIENT 三井化学アグロ株式会社 2019-03-28 WO disclosed
US-20170137401-A1 Chemokine CXCR4 and CCR5 Receptor Modulators and Uses Related Thereto EMORY UNIVERSITY (US) 2017-05-18 US disclosed
WO-2017070708-A1 2-ARYL- AND 2-HETEROARYL-SUBSTITUTED 2-PYRIDAZIN-3(2H)-ONE COMPOUNDS AS INHIBITORS OF FGFR TYROSINE KINASES ARRAY BIOPHARMA, INC. (US) 2017-04-27 WO disclosed
US-8901125-B2 Substituted bicyclic alkoxy pyrazole analogs as allosteric modulators of mGluR5 receptors VANDERBILT UNIVERSITY (US) 2014-12-02 US disclosed
US-8901125-B2 Substituted bicyclic alkoxy pyrazole analogs as allosteric modulators of mGluR5 receptors VANDERBILT UNIVERSITY (US) 2014-12-02 US disclosed
EP-2308872-A1 Heterocyclic derivatives as modulators of ion channels Vertex Pharmaceuticals Incorporated (US) 2011-04-13 EP disclosed
EP-2308854-A1 2,3,6-trisubstituted-4-pyrimidone derivatives Sanofi-Aventis (FR) 2011-04-13 EP disclosed
US-20100029647-A1 3,4,(5)-SUBSTITUTED TETRAHYDROPHYRIDINES NOVARTIS AG (CH) 2010-02-04 US disclosed
US-7417053-B2 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED (JP) 2008-08-26 US disclosed
US-20070072898-A1 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED 2007-03-29 US disclosed
WO-2004085408-A1 2, 3, 6-TRISUBSTITUTED-4-PYRIMIDONE DERIVATIVES MITSUBISHI PHARMA CORPORATION (JP) 2004-10-07 WO disclosed
US-4538003-A TREATMENT WITH MAGNESIUM OR ZINC ORGANOMETALLIC REAGENTS IN PRESENE OF A NICKEL BIDENTATE OR TRIDENTATE PHOSPHOROUS LIGAND E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-08-27 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 (8 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-10745356-B2 Compositions and methods for treating tuberculosis C5, IFNG, TERT KDM4E 3217/4885ALOX5 426/4885PTGS2 737/4885
US-20070072898-A1 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof MAPKAPK2, MAP4K2, MAPKAPK5 KDM4E 1877/4885ALOX5 3949/4885PTGS2 1522/4885
US-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP KDM4E 2437/4885ALOX5 263/4885PTGS2 1306/4885
US-10329257-B2 Compositions and methods for treating tuberculosis C5, IFNG, TERT KDM4E 3217/4885ALOX5 426/4885PTGS2 737/4885
US-20100029647-A1 3,4,(5)-SUBSTITUTED TETRAHYDROPHYRIDINES REN, PAH, ACE KDM4E 1290/4885ALOX5 1306/4885PTGS2 521/4885
US-20190284140-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS C5, IFNG, TERT KDM4E 3217/4885ALOX5 426/4885PTGS2 737/4885
US-20200102311-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP KDM4E 2800/4885ALOX5 170/4885PTGS2 984/4885
US-20170137401-A1 Chemokine CXCR4 and CCR5 Receptor Modulators and Uses Related Thereto CXCR4, CCR5, CXCR3 KDM4E 3757/4885ALOX5 1487/4885PTGS2 1363/4885

“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.