SCHEMBL532452

SCHEMBL532452

O=[N+]([O-])c1ccc(Br)c(CBr)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 3/20 0.46
S100A4 P26447 2/20 0.46
TDP1 Q9NUW8 3/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 3/20 0.43
LMNA P02545 1/20 0.43
CA2 P00918 2/20 0.42
CA5A P35218 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA13 Q8N1Q1 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL30279963 1.00 PTPRC (0.46) PTPRCS100A4TDP1ALDH1A1CYP3A4
SCHEMBL3379806 0.85 CYP1A2 (0.45) PTPRCS100A4TDP1ALDH1A1CYP3A4
SCHEMBL30468473 0.85 CYP1A2 (0.45) PTPRCS100A4TDP1ALDH1A1CYP3A4
SCHEMBL13043154 0.85 POLB (0.53) PTPRCS100A4TDP1ALDH1A1CYP3A4
SCHEMBL260864 0.84 CYP1A2 (0.47) PTPRCS100A4TDP1ALDH1A1CYP3A4
SCHEMBL29368452 0.84 CYP1A2 (0.47) PTPRCS100A4TDP1ALDH1A1CYP3A4
SCHEMBL135919 0.83 CA1 (0.45) PTPRCS100A4TDP1ALDH1A1CYP3A4
SCHEMBL2860338 0.83 TSHR (0.49) PTPRCS100A4TDP1ALDH1A1CYP3A4
SCHEMBL2082256 0.83 LOXL2 (0.50) PTPRCS100A4TDP1ALDH1A1CYP3A4
SCHEMBL29706685 0.82 PTPRC (0.52) PTPRCS100A4TDP1ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117917402-A Isoindolylamide compound, and pharmaceutical composition and application thereof 暨南大学 2024-04-23 CN disclosed
CN-117466897-A Highly selective FGFR2 inhibitors 深圳福沃药业有限公司 2024-01-30 CN disclosed
US-20230203059-A1 MACROCYCLIC JAK INHIBITOR AND USES THEREOF BIOPOLAR HONGYE (NANTONG) PHARMACEUTICAL CO. LTD. (CN) 2023-06-29 US disclosed
CN-109562111-B CK2 inhibitors, compositions and methods thereof 北极星药业股份有限公司 2023-04-04 CN disclosed
EP-3474855-B1 CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF POLARIS PHARMACEUTICALS INC (US) 2022-01-26 EP disclosed
WO-2019189766-A1 NOVEL BIARYL AMIDE DERIVATIVE 持田製薬株式会社 2019-10-03 WO disclosed
EP-3474855-A1 CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF Polaris Pharmaceuticals, Inc. (US) 2019-05-01 EP disclosed
CN-109562111-A CK2 inhibitor, its composition and method 北极星药业股份有限公司 2019-04-02 CN disclosed
US-10227344-B2 CK2 inhibitors, compositions and methods thereof POLARIS PHARMACEUTICALS, INC. (US) 2019-03-12 US disclosed
US-20170369489-A1 CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF POLARIS PHARMACEUTICALS 2017-12-28 US disclosed
EP-1765793-B1 ANACETRAPIB AND OTHER CETP INHIBITPRS MERCK SHARP & DOHME (US) 2012-09-26 EP disclosed
EP-2415759-A1 CETP inhibitors Merck Sharp & Dohme Corporation (US) 2012-02-08 EP disclosed
US-20110172187-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-07-14 US disclosed
WO-2011060196-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-05-19 WO disclosed
US-20100099716-A1 CETP INHIBITORS MERCK SHARP & DOHME LLC 2010-04-22 US disclosed
US-7652049-B2 1-benzyl-4-[4'-fluoro-5'-isopropyl-2'-methoxy-4-(trifluoromethyl)biphenyl-2-yl]imidazolidin-2-one; cholesteryl ester transfer protein inhibitor; raising HDL-cholesterol, reducing LDL-cholesterol; atherosclerosis; antiinflammatory agent; synergistic mixture with other active ingredients MERCK & CO., INC. (US) 2010-01-26 US disclosed
US-20080119476-A1 Cetp Inhibitors ALI AMJAD 2008-05-22 US disclosed
EP-1765793-A1 CETP INHIBITORS Merck and Co., Inc. (US) 2007-03-28 EP disclosed
US-20060040999-A1 CETP inhibitors MERCK SHARP & DOHME LLC 2006-02-23 US disclosed
WO-2006014413-A1 CETP INHIBITORS MERCK & CO., INC. (US) 2006-02-09 WO 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 (7 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-20060040999-A1 CETP inhibitors CETP, APOB, MTTP PTPRC 2568/4885S100A4 3789/4885TDP1 1006/4885
US-20170369489-A1 CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF CSNK1A1, CSNK2A1, CSNK2A3 PTPRC 551/4885S100A4 874/4885TDP1 3636/4885
US-20080119476-A1 Cetp Inhibitors CETP, APOB, MTTP PTPRC 2568/4885S100A4 3789/4885TDP1 1006/4885
US-20110172187-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BCL6, BTD PTPRC 1227/4885S100A4 1627/4885TDP1 2867/4885
US-10227344-B2 CK2 inhibitors, compositions and methods thereof CSNK1A1, CSNK2A1, CSNK2A3 PTPRC 551/4885S100A4 874/4885TDP1 3636/4885
US-20230203059-A1 MACROCYCLIC JAK INHIBITOR AND USES THEREOF JAK3, JAK2, JAK1 PTPRC 989/4885S100A4 3983/4885TDP1 3755/4885
US-20100099716-A1 CETP INHIBITORS CETP, APOB, MTTP PTPRC 2568/4885S100A4 3789/4885TDP1 1006/4885

“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.