SCHEMBL4580371

SCHEMBL4580371

COc1ccc(Cl)cc1-c1ccc2c(c1CNc1cc(C)ccc1C)N(C)C(=O)C(C)(C)N2

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IL6 P05231 8/20 0.53
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.37
KCNMA1 Q12791 1/20 0.37
P2RX7 Q99572 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL4581882 0.95 IL6 (0.51) IL6APOBEC3AAPOBEC3GALDH1A1LMNA
SCHEMBL4140024 0.92 IL6 (0.63) IL6ALDH1A1MAPTP2RX7MEN1
SCHEMBL4580757 0.87 IL6 (0.51) IL6ALDH1A1MAPTMEN1KMT2A
SCHEMBL4579350 0.85 IL6 (0.70) IL6APOBEC3AAPOBEC3GALDH1A1LMNA
SCHEMBL4581420 0.84 IL6 (0.54) IL6APOBEC3AAPOBEC3GALDH1A1LMNA
SCHEMBL4134549 0.83 IL6 (0.46) IL6MEN1KMT2ABACE2
SCHEMBL13572402 0.83 IL6 (0.38) IL6APOBEC3AAPOBEC3GALDH1A1LMNA
SCHEMBL4140319 0.83 IL6 (0.55) IL6ALDH1A1LMNA
SCHEMBL4132828 0.82 IL6 (0.59) IL6ALDH1A1LMNA
SCHEMBL4132723 0.81 IL6 (0.59) IL6APOBEC3AAPOBEC3GALDH1A1LMNA

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 9 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
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-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-8551991-B2 1,2,3,4-tetrahydroquinoxaline derivative having glucocorticoid receptor binding activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20130303537-A1 1,2,3,4-TETRAHYDROQUINOXALINE COMPOUNDS HAVING GLUCOCORTICOID RECEPTOR BINDING ACTIVITY NR3C1, NR3C2, NR5A1 IL6 3798/4885APOBEC3A 4877/4885APOBEC3G 4880/4885
US-20090111807-A1 Novel 1,2,3,4-Tetrahydroquinoxaline Derivative Having Glucocorticoid Receptor Binding Activity NR3C1, NR3C2, MC2R IL6 3728/4885APOBEC3A 4878/4885APOBEC3G 4877/4885

“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.