SCHEMBL2394010

SCHEMBL2394010

CCCCCCC#CNC=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 3/20 0.45
ADH1C P00326 3/20 0.45
ADH1A P07327 3/20 0.45
ADH7 P40394 3/20 0.45
ADH4 P08319 2/20 0.45
EPHX1 P07099 1/20 0.45
PTPN7 P35236 5/20 0.42
HMGCR P04035 5/20 0.42
RECQL P46063 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 1/20 0.38
EPHX2 P34913 2/20 0.38
SELP P16109 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL2393879 0.98 ADH1B (0.41) ADH1BADH1CADH1AADH7ADH4
SCHEMBL2395147 0.91
SCHEMBL9807772 0.76 PTPN7 (0.36) PTPN7HMGCRRECQLTDP1TSHR
SCHEMBL26553386 0.75 PTPN7 (0.45) PTPN7HMGCRRECQLTDP1TSHR
SCHEMBL26553373 0.75 PTPN7 (0.45) PTPN7HMGCRRECQLTDP1TSHR
SCHEMBL5169071 0.73 PTPN7 (0.43) EPHX1PTPN7HMGCRRECQLTDP1
SCHEMBL5168617 0.73 PTPN7 (0.43) EPHX1PTPN7HMGCRRECQLTDP1
SCHEMBL5168625 0.73 PTPN7 (0.43) EPHX1PTPN7HMGCRRECQLTDP1
SCHEMBL5166971 0.73 PTPN7 (0.43) EPHX1PTPN7HMGCRRECQLTDP1
SCHEMBL5166979 0.73 PTPN7 (0.43) EPHX1PTPN7HMGCRRECQLTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200121652-A1 COMPOUNDS HAVING CASPASE INHIBITORY ACTIVITY, PHARMACEUTICAL AGENT CONTAINING SAID COMPOUNDS AND FOR TREATING OR PREVENTING CORNEAL ENDOTHELIAL SYMPTOMS, DISORDERS, OR DISEASES, AND APPLICATION OF SAID PHARMACEUTICAL AGENT THE DOSHISHA (JP) 2020-04-23 US disclosed
EP-3639855-A1 COMPOUNDS HAVING CASPASE INHIBITORY ACTIVITY, PHARMACEUTICAL AGENT CONTAINING SAID COMPOUNDS AND FOR TREATING OR PREVENTING CORNEAL ENDOTHELIAL SYMPTOMS, DISORDERS, OR DISEASES, AND APPLICATION OF SAID PHARMACEUTICAL AGENT The Doshisha (JP) 2020-04-22 EP disclosed
US-8975256-B2 1,2,3,4-tetrahydroquinoxaline compounds having glucocorticoid receptor binding activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2015-03-10 US disclosed
EP-1944290-B1 NOVEL 1-2-DIHYDROQUINOLINE DERIVATIVE HAVING GLUCOCORTICOID RECEPTOR BINDING ACTIVITY SANTEN PHARMACEUTICAL CO LTD (JP) 2013-12-04 EP disclosed
US-20130303537-A1 1,2,3,4-TETRAHYDROQUINOXALINE COMPOUNDS HAVING GLUCOCORTICOID RECEPTOR BINDING ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-11-14 US disclosed
US-8551991-B2 1,2,3,4-tetrahydroquinoxaline derivative having glucocorticoid receptor binding activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
US-8420635-B2 Method for preventing or treating a glucocorticoid receptor-related disease SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-04-16 US disclosed
EP-1995242-B1 NOVEL 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVE HAVING GLUCOCORTICOID RECEPTOR BINDING ACTIVITY SANTEN PHARMACEUTICAL CO LTD (JP) 2012-11-07 EP disclosed
US-20110263589-A1 Method for preventing or treating a glucocorticoid receptor-related disease SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-10-27 US disclosed
US-8017775-B2 1-2-dihydroquinoline derivative having glucocorticoid receptor binding activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-09-13 US disclosed
US-20090326009-A1 Novel 1-2-Dihydroquinoline Derivative Having Glucocorticoid Receptor Binding Activity Santen Pharmaceutical Co., (JP) 2009-12-31 US disclosed
US-20090111807-A1 Novel 1,2,3,4-Tetrahydroquinoxaline Derivative Having Glucocorticoid Receptor Binding Activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-04-30 US disclosed
EP-1995242-A1 NOVEL 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVE HAVING GLUCOCORTICOID RECEPTOR BINDING ACTIVITY Santen Pharmaceutical Co., Ltd (JP) 2008-11-26 EP disclosed
EP-1944290-A1 NOVEL 1-2-DIHYDROQUINOLINE DERIVATIVE HAVING GLUCOCORTICOID RECEPTOR BINDING ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2008-07-16 EP 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-20090326009-A1 Novel 1-2-Dihydroquinoline Derivative Having Glucocorticoid Receptor Binding Activity NR3C1, NR3C2, NR5A1 ADH1B 1920/4885ADH1C 1471/4885ADH1A 1633/4885
US-20200121652-A1 COMPOUNDS HAVING CASPASE INHIBITORY ACTIVITY, PHARMACEUTICAL AGENT CONTAINING SAID COMPOUNDS AND FOR TREATING OR PREVENTING CORNEAL ENDOTHELIAL SYMPTOMS, DISORDERS, OR DISEASES, AND APPLICATION OF SAID PHARMACEUTICAL AGENT TGFB1, CASP3, TGFB2 ADH1B 4416/4885ADH1C 4830/4885ADH1A 4866/4885
US-20130303537-A1 1,2,3,4-TETRAHYDROQUINOXALINE COMPOUNDS HAVING GLUCOCORTICOID RECEPTOR BINDING ACTIVITY NR3C1, NR3C2, NR5A1 ADH1B 2051/4885ADH1C 1378/4885ADH1A 1335/4885
US-20090111807-A1 Novel 1,2,3,4-Tetrahydroquinoxaline Derivative Having Glucocorticoid Receptor Binding Activity NR3C1, NR3C2, MC2R ADH1B 2469/4885ADH1C 2034/4885ADH1A 2030/4885
US-20110263589-A1 Method for preventing or treating a glucocorticoid receptor-related disease NR3C1, NR3C2, NR5A1 ADH1B 397/4885ADH1C 460/4885ADH1A 685/4885

“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.