SCHEMBL4580952

SCHEMBL4580952

COc1ccc(C)cc1-c1ccc2c(c1COc1cc(F)ccc1C)N(C)C(=O)C(C)(C)N2

nearest known ligand 0.86

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IL6 P05231 8/20 0.86
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
HTR2C P28335 1/20 0.34
BACE1 P56817 2/20 0.33
ALDH1A1 P00352 4/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPK1 P28482 2/20 0.32
MEN1 O00255 1/20 0.32
KDM4E B2RXH2 1/20 0.32
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32

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
SCHEMBL4579844 0.96 IL6 (0.90) IL6HTR2CBACE1ALDH1A1KMT2A
SCHEMBL4582012 0.94 IL6 (0.79) IL6APOBEC3AAPOBEC3GHTR2CALDH1A1
SCHEMBL4581342 0.92 IL6 (0.84) IL6HTR2CBACE1ALDH1A1KMT2A
SCHEMBL4581788 0.92 IL6 (1.00) IL6HTR2CBACE1ALDH1A1KMT2A
SCHEMBL4134613 0.92 IL6 (0.84) IL6HTR2CALDH1A1KMT2AMEN1
SCHEMBL4126541 0.92 IL6 (0.83) IL6HTR2CALDH1A1KDM4E
SCHEMBL4135144 0.92 IL6 (0.83) IL6HTR2CBACE1ALDH1A1KMT2A
SCHEMBL4127299 0.91 IL6 (0.82) IL6HTR2CSMN1; SMN2KMT2AMAPK1
SCHEMBL13639324 0.91 IL6 (0.82) IL6HTR2CBACE1ALDH1A1KMT2A
SCHEMBL4582039 0.91 IL6 (0.82) IL6HTR2CBACE1SMN1; SMN2KMT2A

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 10 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-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
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
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-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
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 (1 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-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.