SCHEMBL1883708

SCHEMBL1883708

COC(=O)c1ccc(I)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.46
▸ PDGFRB P09619 1/20 0.46
▸ FGFR1 P11362 1/20 0.46
▸ PDGFRA P16234 1/20 0.46
▸ FLT1 P17948 1/20 0.46
▸ FGFR3 P22607 1/20 0.46
▸ KDR P35968 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ VCAM1 P19320 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ PDK2 Q15119 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
SCHEMBL6960199 0.82 KDM4E (0.55) TDP1FLT1KDRALDH1A1L3MBTL1
SCHEMBL30525281 0.82 VCAM1 (0.64) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL2721649 0.82 TSHR (0.55) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL559830 0.82 VCAM1 (0.64) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL18435 0.82 CA12 (0.59) SIRT6TDP1PDGFRBFGFR1PDGFRA
SCHEMBL16953241 0.81 SIRT6 (0.46) SIRT6TDP1PDGFRBFGFR1PDGFRA
SCHEMBL539834 0.81 TDP1 (0.47) SIRT6TDP1PDGFRBFGFR1PDGFRA
SCHEMBL616603 0.81 GAA (0.63) SIRT6TDP1PDGFRBFGFR1PDGFRA
SCHEMBL1571262 0.81 AKR1C3 (0.54) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL12600501 0.81 SIRT6 (0.46) SIRT6TDP1PDGFRBFGFR1PDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373657-B1 5,7-DIHYDRO-6H-PYRIMIDO[5,4-D][1]BENZAZEPIN-6-THIONES AS PLK INHIBITORS MILLENNIUM PHARM INC (US) 2016-09-14 — — EP disclosed
EP-2373657-B1 5,7-DIHYDRO-6H-PYRIMIDO[5,4-D][1]BENZAZEPIN-6-THIONES AS PLK INHIBITORS MILLENNIUM PHARM INC (US) 2016-09-14 — — EP disclosed
US-20150175542-A1 THIOLACTAMS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2015-06-25 — — US disclosed
US-20150175542-A1 THIOLACTAMS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2015-06-25 — — US disclosed
US-20150175542-A1 THIOLACTAMS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2015-06-25 — — US disclosed
US-20140194410-A1 THIOLACTAMS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-10 — — US disclosed
US-20140194410-A1 THIOLACTAMS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-10 — — US disclosed
US-20140194410-A1 THIOLACTAMS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-10 — — US disclosed
US-8507667-B2 Thiolactams and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-08-13 — — US disclosed
US-8507667-B2 Thiolactams and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-08-13 — — 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
EP-1651621-A1 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-03 — — EP 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-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-20050043310-A1 Preparation of quinoxaline compounds CCKAR, CCKBR, GIPR SIRT6 1099/4885TDP1 4629/4885PDGFRB 2379/4885
US-20050038032-A1 Quinoxaline compounds CCKAR, CCKBR, GIPR SIRT6 997/4885TDP1 4163/4885PDGFRB 2676/4885
US-20150175542-A1 THIOLACTAMS AND USES THEREOF PLK3, PLK4, PLK2 SIRT6 1183/4885TDP1 2368/4885PDGFRB 78/4885
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds CCKBR, CCKAR, BRSK2 SIRT6 2785/4885TDP1 3090/4885PDGFRB 758/4885
US-20140194410-A1 THIOLACTAMS AND USES THEREOF PLK3, PLK4, PLK2 SIRT6 1183/4885TDP1 2368/4885PDGFRB 78/4885

“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.

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