Sugi Predict

Sugi Predict / Compounds / SCHEMBL3901910

SCHEMBL3901910

SCHEMBL3901910

Nc1cc(Br)ccc1C(=O)N1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.54
▸ NPC1 O15118 5/20 0.54
▸ RAB9A P51151 5/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ LMNA P02545 2/20 0.54
▸ MAPT P10636 2/20 0.54
▸ HPGD P15428 6/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ L3MBTL3 Q96JM7 1/20 0.51
▸ CCKBR P32239 4/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ GAA P10253 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ CASP6 P55212 1/20 0.45

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
SCHEMBL4506873 1.00 ALDH1A1 (0.54) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL3899973 0.87 ALDH1A1 (0.57) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL27991523 0.86 L3MBTL3 (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL6366439 0.85 ALDH1A1 (0.56) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL3911973 0.84 RAB9A (0.57) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL3899784 0.83 L3MBTL3 (0.54) ALDH1A1LMNAMAPTHPGDL3MBTL1
SCHEMBL4510493 0.83 L3MBTL3 (0.51) ALDH1A1NPC1RAB9AHPGDL3MBTL1
SCHEMBL3901908 0.83 ALDH1A1 (0.56) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4506867 0.83 ALDH1A1 (0.56) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL3899968 0.83 ALDH1A1 (0.56) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008124524-A2 ARYL SULFONAMIDE COMPOUNDS AS MODULATORS OF THE CCK2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-16 — — WO claimed
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
WO-2008124524-A2 ARYL SULFONAMIDE COMPOUNDS AS MODULATORS OF THE CCK2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-16 — — WO 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
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-2005016897-A1 PROCESS FOR THE PREPARATION OF 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-24 — — WO disclosed
WO-2005016896-A1 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS AS CCK2 MODULATORS 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 (5 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 ALDH1A1 4604/4885NPC1 3930/4885RAB9A 607/4885
US-20050043310-A1 Preparation of quinoxaline compounds CCKAR, CCKBR, GIPR ALDH1A1 4604/4885NPC1 3930/4885RAB9A 607/4885
US-20050038032-A1 Quinoxaline compounds CCKAR, CCKBR, GIPR ALDH1A1 4427/4885NPC1 2014/4885RAB9A 562/4885
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds CCKBR, CCKAR, BRSK2 ALDH1A1 1824/4885NPC1 2438/4885RAB9A 2813/4885
US-20080076918-A1 QUINOXALINE COMPOUNDS CCKAR, CCKBR, GIPR ALDH1A1 4427/4885NPC1 2014/4885RAB9A 562/4885

“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.