SCHEMBL3582133

SCHEMBL3582133

CC(=O)OCC(=O)Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Cl)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 6/20 0.72
MEN1 O00255 8/20 0.57
KMT2A Q03164 8/20 0.57
ALDH1A1 P00352 6/20 0.57
POLB P06746 3/20 0.57
KDM4E B2RXH2 8/20 0.56
NPSR1 Q6W5P4 2/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
HTT P42858 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MAPT P10636 8/20 0.53
GLA P06280 2/20 0.53
GAA P10253 5/20 0.52
GFER P55789 1/20 0.52
TTR P02766 1/20 0.52
HPGD P15428 4/20 0.51
EGFR P00533 1/20 0.50
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.50
ADRB2 P07550 1/20 0.49

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
SCHEMBL10044528 0.84 RXFP1 (1.00) RXFP1MEN1KMT2AALDH1A1POLB
SCHEMBL3625455 0.83 RXFP1 (0.72) RXFP1MEN1KMT2AALDH1A1POLB
SCHEMBL10044527 0.83 RXFP1 (0.72) RXFP1MEN1KMT2AALDH1A1POLB
SCHEMBL2302494 0.77 RXFP1 (0.73) RXFP1MEN1KMT2AALDH1A1POLB
SCHEMBL27793516 0.77 ALDH1A1 (0.74) RXFP1MEN1KMT2AALDH1A1POLB
SCHEMBL2301933 0.75 ALDH1A1 (0.67) RXFP1MEN1KMT2AALDH1A1POLB
SCHEMBL13316276 0.75 RXFP1 (0.73) RXFP1MEN1KMT2AALDH1A1POLB
SCHEMBL3575095 0.75 RXFP1 (0.73) RXFP1MEN1KMT2AALDH1A1POLB
SCHEMBL3832220 0.75 RXFP1 (0.78) RXFP1MEN1KMT2AALDH1A1POLB
SCHEMBL2302031 0.74 ALDH1A1 (0.78) RXFP1MEN1KMT2AALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118076-B1 QUINOXALINE COMPOUNDS AND USE THEREOF MERCK SERONO SA (CH) 2019-09-04 EP disclosed
EP-2118076-B1 QUINOXALINE COMPOUNDS AND USE THEREOF MERCK SERONO SA (CH) 2019-09-04 EP disclosed
US-8614215-B2 Quinoxaline inhibitors of phosphoinositide-3-kinases (PI3Ks) MERCK SERONO SA (CH) 2013-12-24 US disclosed
US-20100137308-A1 Quinoxaline Compounds and Use Thereof MERCK SERONO SA (CH) 2010-06-03 US disclosed
US-20100137308-A1 Quinoxaline Compounds and Use Thereof MERCK SERONO SA (CH) 2010-06-03 US disclosed
US-20100137308-A1 Quinoxaline Compounds and Use Thereof MERCK SERONO SA (CH) 2010-06-03 US disclosed
WO-2008101979-A1 QUINOXALINE COMPOUNDS AND USE THEREOF MERCK SERONO S.A. (CH) 2008-08-28 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-20100137308-A1 Quinoxaline Compounds and Use Thereof PFKP, PDXK, PF4 RXFP1 1332/4885MEN1 927/4885KMT2A 3444/4885

“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.