SCHEMBL1918262

SCHEMBL1918262

COC(=O)c1c(Br)ccc(N)c1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
TDP1 Q9NUW8 4/20 0.42
POLB P06746 3/20 0.42
KDM4E B2RXH2 3/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
GAA P10253 2/20 0.41
SETD7 Q8WTS6 1/20 0.38
ALDH1A1 P00352 6/20 0.38
CYP3A4 P08684 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ABCC4 O15439 1/20 0.37
PLIN1 O60240 1/20 0.37
CACNA1F O60840 1/20 0.37
GMNN O75496 1/20 0.37
KCNK2 O95069 1/20 0.37

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
SCHEMBL434179 0.88 SMN1; SMN2 (0.47) SMN1; SMN2TDP1POLBKDM4ECTDSP1
SCHEMBL1070965 0.83 SMN1; SMN2 (0.49) SMN1; SMN2TDP1POLBKDM4ECTDSP1
SCHEMBL8135381 0.83 SMN1; SMN2 (0.49) SMN1; SMN2TDP1POLBKDM4ECTDSP1
SCHEMBL19890717 0.83 POLB (0.58) SMN1; SMN2TDP1POLBKDM4ECTDSP1
SCHEMBL18361878 0.82 SMN1; SMN2 (0.51) SMN1; SMN2TDP1POLBKDM4ECTDSP1
SCHEMBL19299916 0.78 HTT (0.47) SMN1; SMN2TDP1POLBKDM4ECTDSP1
SCHEMBL1919472 0.78 SMN1; SMN2 (0.44) SMN1; SMN2TDP1POLBKDM4ECTDSP1
SCHEMBL31523437 0.78 SMN1; SMN2 (0.46) SMN1; SMN2TDP1POLBKDM4ECTDSP1
SCHEMBL1457871 0.76 GAA (0.44) SMN1; SMN2TDP1POLBKDM4ECTDSP1
SCHEMBL543319 0.76 GRM6 (0.42) TDP1POLBKDM4EKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975256-B2 1,2,3,4-tetrahydroquinoxaline compounds having glucocorticoid receptor binding activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2015-03-10 US 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
US-8975256-B2 1,2,3,4-tetrahydroquinoxaline compounds having glucocorticoid receptor binding activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2015-03-10 US disclosed
US-8664221-B2 Method for treating an inflammatory disease by administering a 1,2,3,4- tetrahydroquinoxaline compound containing a phenyl group having a sulfonic acid ester structure introduced therein as a substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2014-03-04 US disclosed
US-8664221-B2 Method for treating an inflammatory disease by administering a 1,2,3,4- tetrahydroquinoxaline compound containing a phenyl group having a sulfonic acid ester structure introduced therein as a substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2014-03-04 US disclosed
US-8664221-B2 Method for treating an inflammatory disease by administering a 1,2,3,4- tetrahydroquinoxaline compound containing a phenyl group having a sulfonic acid ester structure introduced therein as a substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2014-03-04 US disclosed
US-20140045842-A1 METHOD FOR TREATING AN INFLAMMATORY DISEASE BY ADMINISTERING A 1,2,3,4-TETRAHYDROQUINOXALINE COMPOUND CONTAINING A PHENYL GROUP HAVING A SULFONIC ACID ESTER STRUCTURE INTRODUCED THEREIN AS A SUBSTITUENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2014-02-13 US disclosed
US-20140045842-A1 METHOD FOR TREATING AN INFLAMMATORY DISEASE BY ADMINISTERING A 1,2,3,4-TETRAHYDROQUINOXALINE COMPOUND CONTAINING A PHENYL GROUP HAVING A SULFONIC ACID ESTER STRUCTURE INTRODUCED THEREIN AS A SUBSTITUENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2014-02-13 US disclosed
US-20140045842-A1 METHOD FOR TREATING AN INFLAMMATORY DISEASE BY ADMINISTERING A 1,2,3,4-TETRAHYDROQUINOXALINE COMPOUND CONTAINING A PHENYL GROUP HAVING A SULFONIC ACID ESTER STRUCTURE INTRODUCED THEREIN AS A SUBSTITUENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2014-02-13 US 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-20090111807-A1 Novel 1,2,3,4-Tetrahydroquinoxaline Derivative Having Glucocorticoid Receptor Binding Activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-04-30 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
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
CN-101400659-A Novel 1,2,3,4-tetrahydroquinoxaline derivative having glucocorticoid receptor binding activity SANTEN PHARMACEUTICAL CO LTD (JP) 2009-04-01 CN 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
US-7235662-B2 Modulators of the glucocorticoid receptor and method BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-26 US disclosed
US-7235662-B2 Modulators of the glucocorticoid receptor and method BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-26 US disclosed
US-7235662-B2 Modulators of the glucocorticoid receptor and method BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-26 US disclosed
US-20040266758-A1 Modulators of the glucocorticoid receptor and method BRISTOL-MYERS SQUIBB COMPANY 2004-12-30 US disclosed
WO-2004110385-A2 MODULATORS OF THE GLUCOCORTICOID RECEPTOR AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-23 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 (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-20140045842-A1 METHOD FOR TREATING AN INFLAMMATORY DISEASE BY ADMINISTERING A 1,2,3,4-TETRAHYDROQUINOXALINE COMPOUND CONTAINING A PHENYL GROUP HAVING A SULFONIC ACID ESTER STRUCTURE INTRODUCED THEREIN AS A SUBSTITUENT UACA, PKLR, CYSLTR1 SMN1; SMN2 2795/4885TDP1 3703/4885POLB 3994/4885
US-20040266758-A1 Modulators of the glucocorticoid receptor and method NR3C1, NR3C2, MC2R SMN1; SMN2 4789/4885TDP1 4273/4885POLB 4128/4885
US-20130303537-A1 1,2,3,4-TETRAHYDROQUINOXALINE COMPOUNDS HAVING GLUCOCORTICOID RECEPTOR BINDING ACTIVITY NR3C1, NR3C2, NR5A1 SMN1; SMN2 4764/4885TDP1 3860/4885POLB 3152/4885
US-20090111807-A1 Novel 1,2,3,4-Tetrahydroquinoxaline Derivative Having Glucocorticoid Receptor Binding Activity NR3C1, NR3C2, MC2R SMN1; SMN2 4834/4885TDP1 4140/4885POLB 3946/4885

“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.