SCHEMBL20103064

SCHEMBL20103064

Nc1ccccc1S(=O)(=O)NC1CCCOC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 2/20 0.40
CA9 Q16790 2/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 2/20 0.39
USP2 O75604 1/20 0.39
GSTO1 P78417 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
BRD4 O60885 2/20 0.38
KDM4E B2RXH2 1/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL12481671 0.84 ALDH1A1 (0.66) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL15333501 0.84 ALDH1A1 (0.61) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL13163964 0.82 ALDH1A1 (0.49) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL11228520 0.82 ALDH1A1 (0.64) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL29904723 0.80 MAPT (0.56) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL6216811 0.80 MAPT (0.56) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL13189170 0.80 KDM4E (0.54) ALDH1A1HTTNPSR1LMNABRD4
SCHEMBL18230060 0.79 MEN1 (0.74) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL18230042 0.73 MAPT (0.46) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL11900776 0.72 KDM4E (0.65) ALDH1A1MAPTMEN1KMT2AGAA

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 2 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

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 ALDH1A1 1674/4885MAPT 4457/4885L3MBTL1 1408/4885

“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.