SCHEMBL5272878

SCHEMBL5272878

CNc1ccc(S(C)(=O)=O)c(N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CA12 O43570 3/20 0.42
▸ CA2 P00918 3/20 0.42
▸ CA1 P00915 2/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ CA9 Q16790 2/20 0.40
▸ HTR6 P50406 4/20 0.39
▸ HPGD P15428 3/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ G6PD P11413 1/20 0.34
▸ IDE P14735 1/20 0.34
▸ GNG2 P59768 1/20 0.34
▸ GNB1 P62873 1/20 0.34

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
SCHEMBL8115862 0.83 ALDH1A1 (0.46) L3MBTL1CA12CA2CA1ALDH1A1
SCHEMBL8521142 0.80 CA12 (0.52) CA12CA2CA1ALDH1A1CA9
SCHEMBL19454934 0.77 GRM4 (0.46) L3MBTL1CA12CA2CA1ALDH1A1
SCHEMBL29379850 0.75 L3MBTL1 (0.67) L3MBTL1CA12CA2CA1ALDH1A1
SCHEMBL1413200 0.75 L3MBTL1 (0.67) L3MBTL1CA12CA2CA1ALDH1A1
SCHEMBL27823495 0.74 ALDH1A1 (0.46) L3MBTL1CA12CA2CA1ALDH1A1
SCHEMBL1808891 0.74 LMNA (0.51) L3MBTL1CA12CA2CA1ALDH1A1
SCHEMBL19174817 0.72 CCR2 (0.49) L3MBTL1ALDH1A1HPGDTP53CYP3A4
SCHEMBL4008921 0.72 L3MBTL1 (0.47) L3MBTL1ALDH1A1HPGDCYP3A4G6PD
SCHEMBL2649761 0.72 L3MBTL1 (0.47) L3MBTL1CA12CA2CA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118718-A1 Substituted Quinoxaline Derivatives SELVITA S.A. (PL) 2018-05-03 — — US disclosed
US-20180118718-A1 Substituted Quinoxaline Derivatives SELVITA S.A. (PL) 2018-05-03 — — US disclosed
US-20180118718-A1 Substituted Quinoxaline Derivatives SELVITA S.A. (PL) 2018-05-03 — — US disclosed
WO-2016180537-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2016-11-17 — — WO disclosed
EP-1856075-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND THEIR USE AS 5-HT6 MODULATORS Epix Delaware, Inc. (US) 2007-11-21 — — EP disclosed
WO-2006081332-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND THEIR USE AS 5-HT6 MODULATORS EPIX DELAWARE, INC. (US) 2006-08-03 — — WO 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-20180118718-A1 Substituted Quinoxaline Derivatives BRCA1, NQO2, NQO1 L3MBTL1 1408/4885CA12 4841/4885CA2 4359/4885

“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.

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