SCHEMBL4554490

SCHEMBL4554490

COC(=O)c1ccc(-c2nc[nH]n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 3/20 0.55
LMNA P02545 3/20 0.49
MAPK1 P28482 2/20 0.49
MAPT P10636 3/20 0.49
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA12 O43570 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
CA7 P43166 1/20 0.48
MAP2K4 P45985 2/20 0.46
TSHR P16473 1/20 0.46
NPC1 O15118 1/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.46
NFKB1 P19838 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46

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
SCHEMBL8115353 0.82 CA12 (0.53) ALDH1A1KDM4ELMNAMAPTCA1
SCHEMBL4224606 0.80 KDM4E (0.47) ALDH1A1KDM4ETDP1MAP2K4TSHR
SCHEMBL26110328 0.79 ADH5 (0.37) ALDH1A1KDM4EMAPTNPC1PKM
Biphenyl Dimethyl Dicarboxylate SCHEMBL68521 0.77 CA1 (0.70) ALDH1A1KDM4EMAPTCA1CA2
SCHEMBL19387238 0.77 CA1 (0.70) ALDH1A1KDM4EMAPTCA1CA2
SCHEMBL17981355 0.77 KDM4E (0.60) ALDH1A1KDM4ELMNAMAPK1MAPT
SCHEMBL25751771 0.75 MAPT (0.50) ALDH1A1LMNAMAPTCA1CA2
SCHEMBL9948572 0.75 ALDH1A1 (0.54) ALDH1A1KDM4ELMNAMAPK1MAPT
Biphenyl Dimethyl Dicarboxylate SCHEMBL2890577 0.75 CA1 (0.67) ALDH1A1KDM4EMAPTCA1CA2
SCHEMBL29111664 0.75 LMNA (0.73) ALDH1A1LMNANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3953360-B1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF MONOACYLGLYCEROL LIPASE (MAGL) HOFFMANN LA ROCHE (CH) 2024-02-28 EP disclosed
US-20220135591-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF MONOACYLGLYCEROL LIPASE (MAGL) HOFFMANN-LA ROCHE INC. (US) 2022-05-05 US disclosed
EP-3953360-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF MONOACYLGLYCEROL LIPASE (MAGL) F. Hoffmann-La Roche AG (CH) 2022-02-16 EP disclosed
CN-113767105-A Heterocyclic compounds as inhibitors of monoacylglycerol lipases (MAGL) 豪夫迈·罗氏有限公司 2021-12-07 CN disclosed
WO-2020207941-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF MONOACYLGLYCEROL LIPASE (MAGL) F. HOFFMANN-LA ROCHE AG (CH) 2020-10-15 WO disclosed
WO-2014158638-A1 PREPARATION OF CERTAIN (SUBSTITUTED PHENYL)-TRIAZOLYL-(SUBSTITUTED PHENYL) MOLECULES, AND INTERMEDIATES AND INSECTICIDES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-10-02 WO disclosed
WO-2014158638-A1 PREPARATION OF CERTAIN (SUBSTITUTED PHENYL)-TRIAZOLYL-(SUBSTITUTED PHENYL) MOLECULES, AND INTERMEDIATES AND INSECTICIDES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-10-02 WO disclosed
US-20140275562-A1 PREPARATION OF CERTAIN (SUBSTITUTED PHENYL)-TRIAZOLYL-(SUBSTITUTED PHENYL) MOLECULES, AND INTERMEDIATES AND INSECTICIDES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-09-18 US disclosed
US-20140275562-A1 PREPARATION OF CERTAIN (SUBSTITUTED PHENYL)-TRIAZOLYL-(SUBSTITUTED PHENYL) MOLECULES, AND INTERMEDIATES AND INSECTICIDES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-09-18 US disclosed
US-20140275562-A1 PREPARATION OF CERTAIN (SUBSTITUTED PHENYL)-TRIAZOLYL-(SUBSTITUTED PHENYL) MOLECULES, AND INTERMEDIATES AND INSECTICIDES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-09-18 US disclosed
EP-2125748-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS AstraZeneca AB (SE) 2009-12-02 EP disclosed
WO-2008075068-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS ASTRAZENECA AB (SE) 2008-06-26 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 (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-20140275562-A1 PREPARATION OF CERTAIN (SUBSTITUTED PHENYL)-TRIAZOLYL-(SUBSTITUTED PHENYL) MOLECULES, AND INTERMEDIATES AND INSECTICIDES RELATED THERETO DDT, FARS2, CYP4X1 ALDH1A1 670/4885KDM4E 1065/4885LMNA 1794/4885
US-20220135591-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF MONOACYLGLYCEROL LIPASE (MAGL) MGLL, LIPC, PNLIP ALDH1A1 328/4885KDM4E 1758/4885LMNA 680/4885

“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.