SCHEMBL10044530

SCHEMBL10044530

O=S(=O)(Nc1nc2ccccc2nc1Cl)c1ccc(F)c(F)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 11/20 0.73
KDM4E B2RXH2 5/20 0.73
ALDH1A1 P00352 7/20 0.72
POLB P06746 1/20 0.72
MEN1 O00255 8/20 0.71
KMT2A Q03164 8/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
HPGD P15428 1/20 0.71
NPSR1 Q6W5P4 1/20 0.68
L3MBTL1 Q9Y468 2/20 0.65
HTT P42858 1/20 0.65
MAPT P10636 2/20 0.52
GAA P10253 1/20 0.52
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
CDC25A P30304 1/20 0.49
CDC25B P30305 1/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
LMNA P02545 1/20 0.48

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
SCHEMBL20644791 0.88 RXFP1 (0.68) RXFP1KDM4EALDH1A1POLBMEN1
SCHEMBL2306839 0.85 RXFP1 (0.64) RXFP1KDM4EALDH1A1POLBMEN1
SCHEMBL2302252 0.85 RXFP1 (1.00) RXFP1KDM4EALDH1A1POLBMEN1
SCHEMBL189608 0.84 ALDH1A1 (1.00) RXFP1KDM4EALDH1A1POLBMEN1
SCHEMBL2302089 0.84 RXFP1 (0.73) RXFP1KDM4EALDH1A1POLBMEN1
SCHEMBL2304390 0.83 RXFP1 (0.76) RXFP1KDM4EALDH1A1POLBMEN1
SCHEMBL189044 0.81 RXFP1 (1.00) RXFP1KDM4EALDH1A1POLBMEN1
SCHEMBL2301679 0.79 RXFP1 (0.83) RXFP1KDM4EALDH1A1POLBMEN1
SCHEMBL3576814 0.79 ALDH1A1 (0.78) RXFP1KDM4EALDH1A1POLBMEN1
SCHEMBL2302031 0.79 ALDH1A1 (0.78) RXFP1KDM4EALDH1A1POLBMEN1

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 2423/4885ALDH1A1 2918/4885

“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.