SCHEMBL4510488

SCHEMBL4510488

NC(=O)c1cc(Br)ccc1C(=O)N1CCC(O)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.44
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
CYP46A1 Q9Y6A2 1/20 0.41
L3MBTL3 Q96JM7 6/20 0.41
L3MBTL1 Q9Y468 5/20 0.41
HPGD P15428 1/20 0.41
MBTD1 Q05BQ5 1/20 0.41
ALDH1A1 P00352 4/20 0.41
TP53BP1 Q12888 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
L3MBTL4 Q8NA19 1/20 0.39
GRM5 P41594 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL4510493 0.84 L3MBTL3 (0.51) RAB9ANPC1CYP46A1L3MBTL3L3MBTL1
SCHEMBL3901908 0.84 ALDH1A1 (0.56) DGAT1RAB9ANPC1L3MBTL1HPGD
SCHEMBL4506867 0.84 ALDH1A1 (0.56) DGAT1RAB9ANPC1L3MBTL1HPGD
SCHEMBL4508893 0.83 MAP2K1 (0.42) CYP46A1L3MBTL3L3MBTL1MBTD1ALDH1A1
SCHEMBL14163236 0.81 PARP1 (0.48) CYP46A1HPGDSMN1; SMN2
SCHEMBL3911968 0.81 RAB9A (0.59) RAB9ANPC1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL3899968 0.78 ALDH1A1 (0.56) DGAT1RAB9ANPC1L3MBTL1HPGD
SCHEMBL2344362 0.74 DGAT1 (0.67) DGAT1HPGDALDH1A1SMN1; SMN2MAPT
SCHEMBL5880849 0.73 HPGD (0.68) L3MBTL3L3MBTL1HPGDMBTD1TP53BP1
SCHEMBL21177607 0.73 RAB9A (0.43) RAB9ANPC1CYP46A1L3MBTL3L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651621-B1 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2008-08-06 EP claimed
US-7304051-B2 Quinoxaline compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-04 US claimed
EP-1651621-A1 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-03 EP claimed
WO-2005016896-A1 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-24 WO claimed
US-20050038032-A1 Quinoxaline compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-17 US claimed
US-7563895-B2 Quinoxaline compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2009-07-21 US disclosed
EP-1651621-B1 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2008-08-06 EP disclosed
US-20080103300-A1 PREPARATION OF QUINOXALINE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2008-05-01 US disclosed
US-20080076918-A1 QUINOXALINE COMPOUNDS ALLISON BRETT D 2008-03-27 US disclosed
US-7304051-B2 Quinoxaline compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-04 US disclosed
US-7288651-B2 Preparation of quinoxaline compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-30 US disclosed
EP-1651622-B1 PROCESS FOR THE PREPARATION OF 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2007-02-07 EP disclosed
EP-1651622-A1 PROCESS FOR THE PREPARATION OF 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS Janssen Pharmaceutica N.V. (BE) 2006-05-03 EP disclosed
EP-1651621-A1 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-03 EP disclosed
US-20050043310-A1 Preparation of quinoxaline compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-24 US disclosed
WO-2005016896-A1 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-24 WO disclosed
WO-2005016897-A1 PROCESS FOR THE PREPARATION OF 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-24 WO disclosed
US-20050038032-A1 Quinoxaline compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-17 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 (4 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-20080103300-A1 PREPARATION OF QUINOXALINE COMPOUNDS CCKAR, CCKBR, GIPR DGAT1 4115/4885RAB9A 607/4885NPC1 3930/4885
US-20050043310-A1 Preparation of quinoxaline compounds CCKAR, CCKBR, GIPR DGAT1 4115/4885RAB9A 607/4885NPC1 3930/4885
US-20050038032-A1 Quinoxaline compounds CCKAR, CCKBR, GIPR DGAT1 2949/4885RAB9A 562/4885NPC1 2014/4885
US-20080076918-A1 QUINOXALINE COMPOUNDS CCKAR, CCKBR, GIPR DGAT1 2949/4885RAB9A 562/4885NPC1 2014/4885

“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.