Sugi Predict

Sugi Predict / Compounds / SCHEMBL3911973

SCHEMBL3911973

SCHEMBL3911973

Nc1cc(Br)ccc1C(=O)N1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.57
▸ MAPT P10636 3/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ GAA P10253 1/20 0.50
▸ ERN1 O75460 1/20 0.50
▸ NPC1 O15118 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ AAK1 Q2M2I8 1/20 0.48
▸ HTT P42858 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ AKR1C3 P42330 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.46

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
SCHEMBL3374261 0.88 RAB9A (0.60) RAB9AMAPTKMT2AGAAERN1
SCHEMBL5255412 0.86 RAB9A (0.61) RAB9AMAPTKMT2AGAAERN1
SCHEMBL9759889 0.84 KDM4E (0.51) RAB9AMAPTKMT2AGAAERN1
SCHEMBL3901910 0.84 ALDH1A1 (0.54) RAB9AMAPTKMT2AGAANPC1
SCHEMBL4506873 0.84 ALDH1A1 (0.54) RAB9AMAPTKMT2AGAANPC1
SCHEMBL3911968 0.84 RAB9A (0.59) RAB9AMAPTKMT2AGAAERN1
SCHEMBL30073400 0.83 HSP90AA1 (0.57) RAB9AMAPTKMT2AGAAERN1
SCHEMBL27991523 0.83 L3MBTL3 (0.44) RAB9AMAPTKMT2ANPC1KDM4E
SCHEMBL17749695 0.83 HSP90AA1 (0.57) RAB9AMAPTKMT2AGAAERN1
SCHEMBL17758610 0.82 RAB9A (0.50) RAB9AMAPTKMT2AGAAERN1

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 27 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-10550073-B2 Benzamide derivative CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2020-02-04 — — US disclosed
EP-3357916-A1 BENZAMIDE DERIVATIVE CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd. (CN) 2018-08-08 — — EP disclosed
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
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 RAB9A 607/4885MAPT 4849/4885KMT2A 2861/4885
US-20050043310-A1 Preparation of quinoxaline compounds CCKAR, CCKBR, GIPR RAB9A 607/4885MAPT 4849/4885KMT2A 2861/4885
US-10550073-B2 Benzamide derivative CYP3A5, ABCB1, CYP2D6 RAB9A 1551/4885MAPT 2121/4885KMT2A 631/4885
US-20050038032-A1 Quinoxaline compounds CCKAR, CCKBR, GIPR RAB9A 562/4885MAPT 4633/4885KMT2A 2198/4885
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds CCKBR, CCKAR, BRSK2 RAB9A 2813/4885MAPT 4689/4885KMT2A 3281/4885
US-20080076918-A1 QUINOXALINE COMPOUNDS CCKAR, CCKBR, GIPR RAB9A 562/4885MAPT 4633/4885KMT2A 2198/4885

“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.