SCHEMBL10044529

SCHEMBL10044529

O=S(=O)(Nc1nc2ccccc2nc1Cl)C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 11/20 0.62
KDM4E B2RXH2 5/20 0.60
NPSR1 Q6W5P4 2/20 0.60
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
ALDH1A1 P00352 5/20 0.57
POLB P06746 1/20 0.57
L3MBTL1 Q9Y468 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
HTT P42858 1/20 0.55
HPGD P15428 1/20 0.54
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
TDP1 Q9NUW8 1/20 0.44
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
OGFRL1 Q5TC84 1/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
CYSLTR2 Q9NS75 1/20 0.41

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
SCHEMBL2302871 0.78 RXFP1 (0.66) RXFP1KDM4ENPSR1MEN1KMT2A
SCHEMBL14094953 0.78 RXFP1 (0.66) RXFP1KDM4ENPSR1MEN1KMT2A
SCHEMBL2302578 0.77 MEN1 (0.75) RXFP1KDM4ENPSR1MEN1KMT2A
SCHEMBL2418454 0.77 RXFP1 (1.00) RXFP1KDM4ENPSR1MEN1KMT2A
SCHEMBL189044 0.75 RXFP1 (1.00) RXFP1KDM4ENPSR1MEN1KMT2A
SCHEMBL3578944 0.75 RXFP1 (0.62) RXFP1KDM4ENPSR1MEN1KMT2A
SCHEMBL3579867 0.74 RXFP1 (0.60) RXFP1KDM4ENPSR1MEN1KMT2A
SCHEMBL2302252 0.74 RXFP1 (1.00) RXFP1KDM4ENPSR1MEN1KMT2A
SCHEMBL2421801 0.74 RXFP1 (0.72) RXFP1KDM4ENPSR1MEN1KMT2A
SCHEMBL189608 0.73 ALDH1A1 (1.00) RXFP1KDM4ENPSR1MEN1KMT2A

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-20130211076-A1 Method for preparing substituted N-(3-amino-quinoxalin-2-yl)-sulfonamides and their intermediates N-(3-chloro-quinoxalin-2-yl)-sulfonamides MERCK SERONO S.A. GENEVA (CH) 2013-08-15 US disclosed
US-20130211076-A1 Method for preparing substituted N-(3-amino-quinoxalin-2-yl)-sulfonamides and their intermediates N-(3-chloro-quinoxalin-2-yl)-sulfonamides MERCK SERONO S.A. GENEVA (CH) 2013-08-15 US disclosed
WO-2012052420-A1 METHOD FOR PREPARING SUBSTITUTED N-(3-AMINO-QUINOXALIN-2-YL)-SULFONAMIDES AND THEIR INTERMEDIATES N-(3-CHLORO-QUINOXALIN-2-YL)SULFONAMIDES MERCK SERONO S.A. GENEVA (CH) 2012-04-26 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-20130211076-A1 Method for preparing substituted N-(3-amino-quinoxalin-2-yl)-sulfonamides and their intermediates N-(3-chloro-quinoxalin-2-yl)-sulfonamides STS, NQO2, ASNS RXFP1 3539/4885KDM4E 2423/4885NPSR1 757/4885

“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.