SCHEMBL305122

SCHEMBL305122

CCCCCCCCCCCCCCCCCCCN[C]=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 9/20 0.48
ADH1B P00325 1/20 0.48
ADH1C P00326 1/20 0.48
ADH1A P07327 1/20 0.48
ADH4 P08319 1/20 0.48
ADH7 P40394 1/20 0.48
TSHR P16473 2/20 0.46
ALDH1A1 P00352 1/20 0.46
PPARA Q07869 2/20 0.43
THRB P10828 1/20 0.42
CASP2 P42575 1/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
S1PR2 O95136 2/20 0.39
S1PR4 O95977 2/20 0.39
S1PR1 P21453 2/20 0.39
S1PR3 Q99500 2/20 0.39

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
SCHEMBL4621467 1.00 EPHX1 (0.48) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL58362 1.00
SCHEMBL149027 1.00 EPHX1 (0.48) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL11109100 1.00 EPHX1 (0.48) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL10873634 1.00 EPHX1 (0.48) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL146003 1.00 EPHX1 (0.48) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL76962 1.00 EPHX1 (0.48) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL148471 1.00 EPHX1 (0.48) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL10874788 1.00 EPHX1 (0.48) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL9661841 1.00 EPHX1 (0.48) EPHX1ADH1BADH1CADH1AADH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9255070-B2 Method of deuteration using mixed catalyst WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2016-02-09 US disclosed
US-8093422-B2 Method for deuteration of an aromatic ring WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-01-10 US disclosed
US-7517990-B2 Method for deuteration of a heterocyclic ring WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2009-04-14 US disclosed
US-20080234488-A1 Method of Deuteration Using Mixed Catalyst WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2008-09-25 US disclosed
US-20070255076-A1 Method for Deuteration of an Aromatic Ring WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2007-11-01 US disclosed
EP-1084710-B1 ADENOSINE A1 ANTAGONISTS FOR MALE STERILITY ASTELLAS PHARMA INC (JP) 2006-10-18 EP disclosed
EP-1707548-A1 METHOD OF DEUTERATION USING MIXED CATALYST Wako Pure Chemical Industries, Ltd. (JP) 2006-10-04 EP disclosed
US-20060116535-A1 Method of deuteration WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2006-06-01 US disclosed
US-20060025596-A1 Method for deuteration or tritiation of heterocyclic ring FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2006-02-02 US disclosed
EP-1577280-A1 METHOD OF DEUTERIZATION Wako Pure Chemical Industries, Ltd. (JP) 2005-09-21 EP disclosed
US-5138067-A PAF antagonists, antithrombotic, antivasoconstricting, antibronchoconstricting or antitumor agents SHIONOGI & CO. LTD. (JP) 1992-08-11 US disclosed
EP-0497258-A2 Use of adenosine antagonists in the prevention and treatment of pancreatitis and ulcer FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-08-05 EP disclosed
US-5102878-A Treating psychological, bone, cardiovascular, blood disorders FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-04-07 US disclosed
US-5102869-A Urogenital disorders FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-04-07 US disclosed
US-5087629-A Diuretics, hypotensive agents; cardiotonic agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-02-11 US disclosed
US-5047540-A Platelet Activating Factor Antagonists and Antitumor Agents SHIONOGI & CO., LTD. (JP) 1991-09-10 US disclosed
US-4994453-A Treating asthma, diabetes, obesity, immunosuppression FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-02-19 US disclosed
US-4925849-A DIURETICS, HYPOTENSIVE AGENTS, CARIOTONIC AGENTS AND ANTIEDEMIC AGENTS FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-05-15 US disclosed
EP-0321296-A1 Lipid derivatives their preparation and use SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1989-06-21 EP disclosed
US-4504472-A MICROBIOCIDES, IMMUNOSTIMULANTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-03-12 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 (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-20060025596-A1 Method for deuteration or tritiation of heterocyclic ring HRH2, HRH4, HDHD5 EPHX1 1259/4885ADH1B 272/4885ADH1C 715/4885
US-20080234488-A1 Method of Deuteration Using Mixed Catalyst HDHD5, DHX35, HRH3 EPHX1 2426/4885ADH1B 502/4885ADH1C 1044/4885
US-20070255076-A1 Method for Deuteration of an Aromatic Ring HRH3, HRH4, AHR EPHX1 2302/4885ADH1B 501/4885ADH1C 1127/4885
US-20060116535-A1 Method of deuteration ARL1, IDH2, IDH3A EPHX1 2129/4885ADH1B 477/4885ADH1C 186/4885

“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.