SCHEMBL3901259

SCHEMBL3901259

NC(=O)c1cc(Cl)ccc1C(=O)N1CCOCC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.71
SMN1; SMN2 Q16637 3/20 0.61
PHGDH O43175 1/20 0.56
TSHR P16473 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
GAA P10253 1/20 0.55
LMNA P02545 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HTT P42858 2/20 0.52
MAPT P10636 1/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
EPHX2 P34913 1/20 0.52
HSP90AA1 P07900 1/20 0.51
AKR1C3 P42330 1/20 0.51
TP53 P04637 1/20 0.51
HPGD P15428 1/20 0.51
ALDH1A1 P00352 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL3903749 0.86 KDM4E (0.51) KDM4ETSHRMEN1KMT2AGAA
SCHEMBL3899814 0.86 KDM4E (0.51) KDM4ESMN1; SMN2TSHRMEN1KMT2A
SCHEMBL3901377 0.85 RAB9A (0.52) KDM4ETSHRMEN1KMT2ALMNA
SCHEMBL3900298 0.85 RAB9A (0.52) KDM4ETSHRMEN1KMT2ALMNA
SCHEMBL3095521 0.84 KDM4E (0.68) KDM4ESMN1; SMN2PHGDHTSHRMEN1
SCHEMBL4509077 0.83 HTT (0.74) KDM4ESMN1; SMN2PHGDHTSHRKMT2A
SCHEMBL9792231 0.83 KDM4E (0.77) KDM4ESMN1; SMN2PHGDHTSHRMEN1
SCHEMBL1042677 0.83 KDM4E (1.00) KDM4ESMN1; SMN2PHGDHTSHRMEN1
SCHEMBL3911968 0.82 RAB9A (0.59) KDM4ESMN1; SMN2KMT2AGAAL3MBTL1
SCHEMBL3901376 0.82 SMN1; SMN2 (0.48) KDM4ESMN1; SMN2PHGDHTSHRMEN1

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 23 patents — showing the first 20. 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
US-7241759-B2 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-10 US 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
US-7550492-B2 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-06-23 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-20070276016-A1 BENZO[1,2,5]THIADIAZOLE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-29 US disclosed
US-7288651-B2 Preparation of quinoxaline compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-30 US 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
WO-2005012275-A2 BENZO [1, 2, 5] THIADIAZOLE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-10 WO disclosed
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2004-11-11 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 (6 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 KDM4E 3167/4885SMN1; SMN2 2356/4885PHGDH 2386/4885
US-20070276016-A1 BENZO[1,2,5]THIADIAZOLE COMPOUNDS CCKBR, CCKAR, GIPR KDM4E 4124/4885SMN1; SMN2 385/4885PHGDH 4200/4885
US-20050043310-A1 Preparation of quinoxaline compounds CCKAR, CCKBR, GIPR KDM4E 3167/4885SMN1; SMN2 2356/4885PHGDH 2386/4885
US-20050038032-A1 Quinoxaline compounds CCKAR, CCKBR, GIPR KDM4E 3681/4885SMN1; SMN2 1057/4885PHGDH 2596/4885
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds CCKBR, CCKAR, BRSK2 KDM4E 3591/4885SMN1; SMN2 376/4885PHGDH 3838/4885
US-20080076918-A1 QUINOXALINE COMPOUNDS CCKAR, CCKBR, GIPR KDM4E 3681/4885SMN1; SMN2 1057/4885PHGDH 2596/4885

“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.