SCHEMBL4581620

SCHEMBL4581620

COc1ccc(OC(=O)c2ccccc2)cc1B(O)O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 13/20 0.54
MAPT P10636 4/20 0.54
TDP1 Q9NUW8 3/20 0.54
MEN1 O00255 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.48
CYP3A4 P08684 1/20 0.48
ALDH1A1 P00352 3/20 0.48
PKM P14618 1/20 0.48
PARP10 Q53GL7 1/20 0.46
ENPP2 Q13822 1/20 0.46
RAB9A P51151 1/20 0.46
CA12 O43570 1/20 0.45
POLB P06746 1/20 0.45
CA9 Q16790 1/20 0.45
PTPN1 P18031 1/20 0.45
ESR1 P03372 1/20 0.44
ESR2 Q92731 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
SCHEMBL4581226 0.88 KMT2A (0.54) KMT2AMAPTTDP1MEN1L3MBTL1
SCHEMBL10436239 0.84 KMT2A (0.60) KMT2AMAPTTDP1MEN1L3MBTL1
SCHEMBL4581548 0.82 CYP1A2 (0.63) KMT2AMAPTTDP1MEN1L3MBTL1
SCHEMBL14767680 0.82 KMT2A (0.57) KMT2AMAPTTDP1MEN1L3MBTL1
SCHEMBL10910755 0.82 KMT2A (0.57) KMT2AMAPTTDP1MEN1L3MBTL1
SCHEMBL27914465 0.78 PARP10 (0.56) KMT2AMAPTTDP1MEN1L3MBTL1
SCHEMBL27883921 0.78 KMT2A (0.55) KMT2AMAPTTDP1MEN1L3MBTL1
SCHEMBL4579786 0.78 KMT2A (0.55) KMT2AMAPTTDP1MEN1L3MBTL1
SCHEMBL28940774 0.78 KMT2A (0.55) KMT2AMAPTTDP1MEN1L3MBTL1
SCHEMBL26659601 0.77 KMT2A (0.66) KMT2AMAPTTDP1MEN1L3MBTL1

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 11 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-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-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
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 (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 KMT2A 2343/4885MAPT 4848/4885TDP1 3860/4885
US-20090111807-A1 Novel 1,2,3,4-Tetrahydroquinoxaline Derivative Having Glucocorticoid Receptor Binding Activity NR3C1, NR3C2, MC2R KMT2A 2683/4885MAPT 4863/4885TDP1 4140/4885

“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.