SCHEMBL5367583

SCHEMBL5367583

Nc1c(Br)cc(C(=O)CBr)cc1Br

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 15/20 0.53
PTPN1 P18031 6/20 0.45
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL11642081 0.87 HDAC1 (0.46) GSK3BPTPN1CA1CA2CA9
SCHEMBL28782898 0.87 CA1 (0.44) GSK3BPTPN1GAAMAPTCA1
Hydrochloric Acid SCHEMBL5378576 0.81 GSK3B (0.52) GSK3BGAAMAPTCA1CA2
SCHEMBL1191123 0.80 TTR (0.58) GSK3BPTPN1
SCHEMBL6543881 0.78 GSK3B (0.59) GSK3BPTPN1
SCHEMBL5368082 0.78 GSK3B (0.48) GSK3BGAAMAPTCA1CA2
SCHEMBL2876065 0.77 GSK3B (0.50) GSK3BPTPN1GAACA1CA2
SCHEMBL20819692 0.77 HDAC1 (0.52) GSK3BPTPN1CA1CA2CA9
SCHEMBL5981761 0.77 GSK3B (0.61) GSK3BGAAMAPTCA1CA2
SCHEMBL7496254 0.76 GSK3B (0.47) GSK3BGAAMAPTCA1CA2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109912434-B Synthesis method of phenylethanolamine beta receptor agonist 上海安谱实验科技股份有限公司 2022-07-12 CN disclosed
CN-109912434-A The synthetic method of phenyl ethyl amine beta receptor agonist 上海安谱实验科技股份有限公司 2019-06-21 CN disclosed
US-20070208036-A1 Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-09-06 US disclosed
US-7230001-B1 Arylalkane, arylalkene and aryl azaalkane, medicaments containing said compounds and method for the production thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-06-12 US disclosed
US-6747057-B2 SUCH 1-(2-BROMO-4,5-DICHLORO-THIOPHEN-3-YL)-2-CHLORO-ETHANONE FOR TREATMENT OF ALZHEIMER'S DISEASE OR DIABETES CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2004-06-08 US disclosed
US-20030199508-A1 Compounds and their therapeutic use UNIVERSIDAD AUTONOMA DE MADRID (UAM) (ES) 2003-10-23 US disclosed
WO-2003055479-A1 COMPOUNDS AND THEIR THERAPEUTIC USE RELATED TO THE PHOSPHORYLATING ACTIVITY OF THE ENZYME GSK-3 CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2003-07-10 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 (2 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-20030199508-A1 Compounds and their therapeutic use CNKSR1, CBR1, CBR3 GSK3B 4/4885PTPN1 1068/4885GAA 3411/4885
US-20070208036-A1 Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them ARRB1, NPY1R, ADRB3 GSK3B 3109/4885PTPN1 1274/4885GAA 2009/4885

“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.