SCHEMBL2395942

SCHEMBL2395942

CCN(C(=O)C(=O)N(C)c1ccccc1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.63
GLA P06280 1/20 0.63
TSHR P16473 1/20 0.63
KMT2A Q03164 6/20 0.53
MEN1 O00255 5/20 0.53
TP53 P04637 2/20 0.50
HTT P42858 1/20 0.46
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL1185690 0.90 ALDH1A1 (0.76) ALDH1A1GLATSHRKMT2AMEN1
SCHEMBL17704773 0.84 KMT2A (0.53) ALDH1A1GLATSHRKMT2AMEN1
SCHEMBL1363014 0.83 TSHR (0.78) ALDH1A1GLATSHRKMT2AMEN1
SCHEMBL10917307 0.82 ALDH1A1 (0.70) ALDH1A1GLATSHRKMT2AMEN1
SCHEMBL5580654 0.79 ALDH1A1 (0.66) ALDH1A1GLATSHRKMT2AMEN1
SCHEMBL5984037 0.79 ALDH1A1 (0.66) ALDH1A1GLATSHRKMT2AMEN1
SCHEMBL380050 0.78 ALDH1A1 (0.76) ALDH1A1GLATSHRKMT2AMEN1
SCHEMBL263716 0.78 ALDH1A1 (1.00) ALDH1A1GLATSHRKMT2AMEN1
SCHEMBL286789 0.78 ALDH1A1 (0.63) ALDH1A1GLATSHRKMT2AMEN1
SCHEMBL19409835 0.77 ALDH1A1 (0.81) ALDH1A1GLATSHRKMT2AMEN1

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
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 (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-20090326009-A1 Novel 1-2-Dihydroquinoline Derivative Having Glucocorticoid Receptor Binding Activity NR3C1, NR3C2, NR5A1 ALDH1A1 3569/4885GLA 4412/4885TSHR 154/4885
US-20130303537-A1 1,2,3,4-TETRAHYDROQUINOXALINE COMPOUNDS HAVING GLUCOCORTICOID RECEPTOR BINDING ACTIVITY NR3C1, NR3C2, NR5A1 ALDH1A1 2869/4885GLA 4305/4885TSHR 118/4885
US-20090111807-A1 Novel 1,2,3,4-Tetrahydroquinoxaline Derivative Having Glucocorticoid Receptor Binding Activity NR3C1, NR3C2, MC2R ALDH1A1 3680/4885GLA 4535/4885TSHR 119/4885
US-20110263589-A1 Method for preventing or treating a glucocorticoid receptor-related disease NR3C1, NR3C2, NR5A1 ALDH1A1 3037/4885GLA 599/4885TSHR 198/4885

“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.