SCHEMBL2068258

SCHEMBL2068258

COC(=O)c1ccc(=O)n(O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA12 O43570 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
TSHR P16473 1/20 0.45
IDH1 O75874 1/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
XDH P47989 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK1 P28482 1/20 0.42
CREBBP Q92793 1/20 0.41

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
SCHEMBL6208261 0.86 LMNA (0.45) LMNAKDM4EGAACA1CA2
SCHEMBL2034671 0.81 LMNA (0.51) LMNAKDM4EGAACA1CA2
SCHEMBL9339167 0.79 LMNA (0.50) LMNAKDM4EGAACA1CA2
SCHEMBL14406916 0.79 LMNA (0.50) LMNAKDM4EGAACA1CA2
SCHEMBL28192075 0.79 LMNA (0.50) LMNAKDM4EGAACA1CA2
SCHEMBL23562090 0.77 LMNA (0.62) LMNAKDM4EGAACA1CA2
SCHEMBL12890137 0.77 LMNA (0.48) LMNAKDM4EGAACA1CA2
SCHEMBL1255539 0.77 LMNA (0.62) LMNAKDM4EGAACA1CA2
SCHEMBL28704033 0.76 CA1 (0.76) KDM4ECA1CA2CA12CA7
SCHEMBL3174187 0.75 IDH1 (0.50) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11491146-B2 Therapeutic methods and combinations SHAM YUK YIN (US) 2022-11-08 US disclosed
US-20180369217-A1 THERAPEUTIC METHODS AND COMBINATIONS SHAM YUK YIN (US) 2018-12-27 US disclosed
US-9096527-B2 TRPM8 antagonists and their use in treatments AMGEN INC. (US) 2015-08-04 US disclosed
US-9096527-B2 TRPM8 antagonists and their use in treatments AMGEN INC. (US) 2015-08-04 US disclosed
US-9096527-B2 TRPM8 antagonists and their use in treatments AMGEN INC. (US) 2015-08-04 US disclosed
US-20140171406-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2014-06-19 US disclosed
US-20140171406-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2014-06-19 US disclosed
US-20140171639-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2014-06-19 US disclosed
US-20140171639-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2014-06-19 US disclosed
US-20140171639-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2014-06-19 US disclosed
EP-1546133-B1 N-SUBSTITUTED-2-OXODIHYDROPYRIDINE DERIVATIVES AS NPY ANTAGONISTS BANYU PHARMA CO LTD (JP) 2010-03-17 EP disclosed
US-20090176980-A1 3-Substituted-6-Aryl Pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2009-07-09 US disclosed
US-7342115-B2 Binding antagonist and arylpyridine for antiinflammatory agents, cardiovascular disorders and antagonist or agonist and for immunology NEUROGEN CORPORATION (US) 2008-03-11 US disclosed
US-7138525-B2 N-substituted-2-oxodihydropyridine derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-21 US disclosed
EP-1565452-A2 3-SUBSTITUTED-6-ARYL PYRIDINES AS LIGANDS OF C5A RECEPTORS NEUROGEN CORPORATION (US) 2005-08-24 EP disclosed
US-6869966-B2 N-substituted-2-oxodihydropyridine derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-03-22 US disclosed
US-20050009879-A1 Chemical intermediates for their production such as 1-ethyl-2-pyridone-5-carboxylic acid; neuropeptide Y receptor antagonists; for treatment of cardiovascular disorders, glaucoma, and eating disorders MSD K.K. (JP) 2005-01-13 US disclosed
US-20040158067-A1 3-substituted-6-aryl pyridines NEUROGEN CORPORATION 2004-08-12 US disclosed
WO-2004043925-A2 3-SUBSTITUTED-6-ARYL PYRIDINED AS LIGANDS OF C5A RECEPTORS NEUROGEN CORPORATION (US) 2004-05-27 WO disclosed
US-20040072874-A1 N-substituted-2-oxodihydropyridine derivatives MSD K.K. (JP) 2004-04-15 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-20180369217-A1 THERAPEUTIC METHODS AND COMBINATIONS TPMT, TOP1, TOP2A LMNA 4573/4885KDM4E 4544/4885GAA 855/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 LMNA 3672/4885KDM4E 2088/4885GAA 4839/4885
US-11491146-B2 Therapeutic methods and combinations TPMT, TOP1, TOP2A LMNA 4573/4885KDM4E 4544/4885GAA 855/4885
US-20140171639-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 LMNA 1221/4885KDM4E 3641/4885GAA 1524/4885
US-20140171406-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 LMNA 1221/4885KDM4E 3641/4885GAA 1524/4885
US-20050009879-A1 Chemical intermediates for their production such as 1-ethyl-2-pyridone-5-carboxylic acid; neuropeptide Y receptor antagonists; for treatment of cardiovascular disorders, glaucoma, and eating disorders NPY1R, NPY2R, NPY4R LMNA 2527/4885KDM4E 2556/4885GAA 1984/4885
US-20040072874-A1 N-substituted-2-oxodihydropyridine derivatives GPR119, NPY4R, NPY1R LMNA 3298/4885KDM4E 1692/4885GAA 1691/4885
US-20040158067-A1 3-substituted-6-aryl pyridines C3AR1, C5AR1, C5AR2 LMNA 3866/4885KDM4E 2711/4885GAA 4839/4885

“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.