SCHEMBL4580978

SCHEMBL4580978

COc1ccccc1NCc1c(-c2cc(CO)ccc2OC)ccc2c1N(C)C(=O)C(C)(C)N2

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IL6 P05231 8/20 0.64
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAPK10 P53779 1/20 0.36
HTR7 P34969 3/20 0.35
KDM4E B2RXH2 2/20 0.35
APAF1 O14727 1/20 0.35
RECQL P46063 1/20 0.35
ALDH1A1 P00352 1/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
SLK Q9H2G2 1/20 0.34
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
HDAC1 Q13547 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 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
SCHEMBL4581420 0.89 IL6 (0.54) IL6MAPTKDM4EAPAF1RECQL
SCHEMBL4580757 0.88 IL6 (0.51) IL6MAPTNPC1KDM4EAPAF1
SCHEMBL4580440 0.87 IL6 (0.51) IL6MAPTRAB9AKDM4EALDH1A1
SCHEMBL4581470 0.87 IL6 (0.51) IL6MAPTRAB9AKDM4EALDH1A1
SCHEMBL14015542 0.87 IL6 (0.51) IL6MAPTHTR7KDM4EAPAF1
SCHEMBL4580830 0.85 IL6 (0.49) IL6MAPTRECQLALDH1A1GAA
SCHEMBL4132793 0.85 IL6 (0.51) IL6MAPTKDM4EAPAF1RECQL
SCHEMBL4140502 0.85 IL6 (0.56) IL6MAPTHTR7KDM4EAPAF1
SCHEMBL4141858 0.84 IL6 (0.57) IL6MAPTRAB9AKDM4EAPAF1
SCHEMBL4580913 0.83 IL6 (0.62) IL6MAPTKDM4EALDH1A1APOBEC3A

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 8 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
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 (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 3728/4885MAPT 4863/4885NPC1 4638/4885

“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.