SCHEMBL20100265

SCHEMBL20100265

Cc1ccccc1S(=O)(=O)NCc1cncnc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
POLB P06746 1/20 0.53
ALDH1A1 P00352 5/20 0.50
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TP53 P04637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
NR2F2 P24468 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 1/20 0.45
NR3C2 P08235 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL7011026 0.85 TSHR (0.74) TSHRPOLBALDH1A1HTTSMN1; SMN2
SCHEMBL11174344 0.83 SMN1; SMN2 (0.69) TSHRPOLBALDH1A1HTTSMN1; SMN2
SCHEMBL407668 0.82 CA12 (0.61) POLBALDH1A1L3MBTL1
SCHEMBL18229979 0.82 NSD2 (0.54) POLBKMT2A
SCHEMBL18230002 0.79 KMT2A (0.43) TSHRPOLBALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL25223925 0.78 KEAP1 (0.68) POLBALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL18230026 0.77 CYP19A1 (0.69) ALDH1A1HTTKMT2A
SCHEMBL14623888 0.77 CNR1 (0.58) ALDH1A1KMT2ANR3C2
SCHEMBL29717140 0.76 BRD4 (0.49) TSHRPOLBALDH1A1HTTSMN1; SMN2
SCHEMBL24512257 0.76 BRD4 (0.49) TSHRPOLBALDH1A1HTTSMN1; SMN2

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 1 patent. 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

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 TSHR 4313/4885POLB 387/4885ALDH1A1 1674/4885

“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.