Sugi Predict

Sugi Predict / Compounds / SCHEMBL3911601

SCHEMBL3911601

SCHEMBL3911601

NC(=O)c1cc(I)ccc1C(=O)N1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAP2K2 P36507 1/20 0.45
▸ MAP2K1 Q02750 1/20 0.45
▸ HPGD P15428 7/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ TSHR P16473 2/20 0.42
▸ CCKBR P32239 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ POLB P06746 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HTT P42858 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ NPC1 O15118 1/20 0.41

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
SCHEMBL4506300 1.00 MAP2K2 (0.45) MAP2K2MAP2K1HPGDALDH1A1MEN1
SCHEMBL3901376 0.85 SMN1; SMN2 (0.48) HPGDALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4508893 0.84 MAP2K1 (0.42) MAP2K2MAP2K1ALDH1A1HSP90AA1
SCHEMBL3911604 0.83 L3MBTL3 (0.51) MAP2K2MAP2K1HPGDALDH1A1MEN1
SCHEMBL4506305 0.83 L3MBTL3 (0.51) MAP2K2MAP2K1HPGDALDH1A1MEN1
SCHEMBL3899778 0.83 HTT (0.60) HPGDALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3895784 0.81 HPGD (0.53) HPGDALDH1A1MEN1KMT2ATSHR
SCHEMBL4506867 0.81 ALDH1A1 (0.56) HPGDALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3901908 0.81 ALDH1A1 (0.56) HPGDALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3901241 0.81 HPGD (0.51) HPGDALDH1A1MEN1KMT2ASMN1; SMN2

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 25 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
EP-1651622-A1 PROCESS FOR THE PREPARATION OF 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS 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 MAP2K2 536/4885MAP2K1 1278/4885HPGD 498/4885
US-20070276016-A1 BENZO[1,2,5]THIADIAZOLE COMPOUNDS CCKBR, CCKAR, GIPR MAP2K2 1342/4885MAP2K1 2731/4885HPGD 1693/4885
US-20050043310-A1 Preparation of quinoxaline compounds CCKAR, CCKBR, GIPR MAP2K2 536/4885MAP2K1 1278/4885HPGD 498/4885
US-20050038032-A1 Quinoxaline compounds CCKAR, CCKBR, GIPR MAP2K2 1200/4885MAP2K1 2299/4885HPGD 1290/4885
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds CCKBR, CCKAR, BRSK2 MAP2K2 1521/4885MAP2K1 3102/4885HPGD 1467/4885
US-20080076918-A1 QUINOXALINE COMPOUNDS CCKAR, CCKBR, GIPR MAP2K2 1200/4885MAP2K1 2299/4885HPGD 1290/4885

“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.