Sugi Predict

Sugi Predict / Compounds / SCHEMBL3901382

SCHEMBL3901382

SCHEMBL3901382

Nc1cc(Cl)ccc1C(=O)N1CCCCCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.60
▸ PKM P14618 1/20 0.60
▸ NPC1 O15118 2/20 0.54
▸ HSD11B1 P28845 1/20 0.51
▸ KDM4E B2RXH2 4/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ L3MBTL3 Q96JM7 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ HPGD P15428 3/20 0.50
▸ HSP90AA1 P07900 2/20 0.50
▸ HRH4 Q9H3N8 1/20 0.50
▸ HRH3 Q9Y5N1 1/20 0.50
▸ USP2 O75604 1/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ LMNA P02545 2/20 0.49
▸ TSHR P16473 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ ABL1 P00519 1/20 0.49
▸ HTT P42858 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
SCHEMBL3095769 1.00 RAB9A (0.60) RAB9APKMNPC1HSD11B1KDM4E
SCHEMBL3812605 0.98 RAB9A (0.62) RAB9APKMNPC1HSD11B1KDM4E
SCHEMBL3899816 0.95 RAB9A (0.58) RAB9APKMNPC1HSD11B1KDM4E
SCHEMBL6366988 0.85 KDM4E (0.53) RAB9APKMNPC1HSD11B1KDM4E
SCHEMBL15227280 0.84 TP53 (0.48) RAB9APKMKDM4EHSD17B10L3MBTL3
SCHEMBL3095521 0.84 KDM4E (0.68) RAB9ANPC1KDM4EL3MBTL1HSP90AA1
SCHEMBL29944105 0.83 MEN1 (0.62) RAB9ANPC1KDM4EHSD17B10L3MBTL1
SCHEMBL11488934 0.83 MEN1 (0.62) RAB9ANPC1KDM4EHSD17B10L3MBTL1
SCHEMBL3899784 0.83 L3MBTL3 (0.54) HSD11B1KDM4EHSD17B10L3MBTL3L3MBTL1
SCHEMBL3901377 0.83 RAB9A (0.52) RAB9APKMNPC1HSD11B1KDM4E

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 21 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
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
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-7241759-B2 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-10 — — 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-1675837-A2 BENZO [1,2,5] THIADIAZOLE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-05 — — EP disclosed
US-20050043310-A1 Preparation of quinoxaline compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-24 — — US 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 RAB9A 607/4885PKM 1427/4885NPC1 3930/4885
US-20070276016-A1 BENZO[1,2,5]THIADIAZOLE COMPOUNDS CCKBR, CCKAR, GIPR RAB9A 2365/4885PKM 3580/4885NPC1 1643/4885
US-20050043310-A1 Preparation of quinoxaline compounds CCKAR, CCKBR, GIPR RAB9A 607/4885PKM 1427/4885NPC1 3930/4885
US-20050038032-A1 Quinoxaline compounds CCKAR, CCKBR, GIPR RAB9A 562/4885PKM 3140/4885NPC1 2014/4885
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds CCKBR, CCKAR, BRSK2 RAB9A 2813/4885PKM 3769/4885NPC1 2438/4885
US-20080076918-A1 QUINOXALINE COMPOUNDS CCKAR, CCKBR, GIPR RAB9A 562/4885PKM 3140/4885NPC1 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.