SCHEMBL12411982

SCHEMBL12411982

CN1C(=O)C(C)(C)Nc2ccc(Br)c(CNc3ccccc3)c21

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
ALDH1A1 P00352 3/20 0.36
IL6 P05231 4/20 0.35
GFER P55789 2/20 0.33
MAPT P10636 1/20 0.33
FPR2 P25090 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 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
SCHEMBL1918196 0.82 IL6 (0.43) GAAALDH1A1IL6MAPT
SCHEMBL12411970 0.81 ALDH1A1 (0.43) GAAALDH1A1IL6TSHR
SCHEMBL1919243 0.81 IL6 (0.42) GAAALDH1A1IL6GFERFPR2
SCHEMBL1918531 0.81 IL6 (0.38) GAAALDH1A1IL6GFERFPR2
SCHEMBL1919059 0.79 IL6 (0.49) ALDH1A1IL6MAPTTSHR
SCHEMBL4582204 0.76 IL6 (0.52) GAAALDH1A1IL6MAPTTSHR
SCHEMBL4134498 0.76 IL6 (0.61) IL6
SCHEMBL4136054 0.70 IL6 (0.36) ALDH1A1IL6MAPTFPR2
SCHEMBL1917399 0.69 IL6 (0.68) ALDH1A1IL6
SCHEMBL17160621 0.67 KMT2A (0.55) ALDH1A1MAPTFPR2TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8664221-B2 Method for treating an inflammatory disease by administering a 1,2,3,4- tetrahydroquinoxaline compound containing a phenyl group having a sulfonic acid ester structure introduced therein as a substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2014-03-04 US disclosed
US-20140045842-A1 METHOD FOR TREATING AN INFLAMMATORY DISEASE BY ADMINISTERING A 1,2,3,4-TETRAHYDROQUINOXALINE COMPOUND CONTAINING A PHENYL GROUP HAVING A SULFONIC ACID ESTER STRUCTURE INTRODUCED THEREIN AS A SUBSTITUENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2014-02-13 US disclosed
US-20110166151-A1 GLUCOCORTICOID RECEPTOR AGONIST COMPRISING 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVES CONTAINING PHENYL GROUP HAVING SULFONIC ACID ESTER STRUCTURE INTRODUCED THEREIN AS SUBSTITUENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-07-07 US 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-20140045842-A1 METHOD FOR TREATING AN INFLAMMATORY DISEASE BY ADMINISTERING A 1,2,3,4-TETRAHYDROQUINOXALINE COMPOUND CONTAINING A PHENYL GROUP HAVING A SULFONIC ACID ESTER STRUCTURE INTRODUCED THEREIN AS A SUBSTITUENT UACA, PKLR, CYSLTR1 GAA 2363/4885ALDH1A1 1587/4885IL6 23/4885
US-20110166151-A1 GLUCOCORTICOID RECEPTOR AGONIST COMPRISING 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVES CONTAINING PHENYL GROUP HAVING SULFONIC ACID ESTER STRUCTURE INTRODUCED THEREIN AS SUBSTITUENT NR3C1, GRK4, MC2R GAA 4213/4885ALDH1A1 3674/4885IL6 1109/4885

“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.