SCHEMBL950597

SCHEMBL950597

C=CC[n+]1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
ACHE P22303 2/20 0.33
BCHE P06276 1/20 0.33
HDAC8 Q9BY41 1/20 0.32
ALDH1A1 P00352 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
Iodide SCHEMBL9390139 0.98 KDM4E (0.41) KDM4EACHEBCHEHDAC8ALDH1A1
Bromide SCHEMBL9387792 0.98 KDM4E (0.41) KDM4EACHEBCHEHDAC8ALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL1162224 0.83 GPR3 (0.36) KDM4EACHE
SCHEMBL3087633 0.78 KDM4E (0.44) KDM4EACHEBCHEHDAC8NPC1
SCHEMBL11004432 0.77 KDM4E (0.43) KDM4EACHEBCHEHDAC8NPC1
SCHEMBL11004427 0.75 KDM4E (0.46) KDM4EACHEBCHEHDAC8NPC1
SCHEMBL1055898 0.75 SMN1; SMN2 (0.52) KDM4EACHEBCHEHDAC8ALDH1A1
SCHEMBL721593 0.75 HDAC8 (0.50) KDM4EACHEBCHEHDAC8ALDH1A1
SCHEMBL11286540 0.75 KDM4E (0.42) KDM4EACHEBCHEHDAC8NPC1
SCHEMBL4981749 0.75 KDM4E (0.42) KDM4EACHEBCHEHDAC8NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2793900-B1 ALPHA-AMINO BORONIC ACID DERIVATIVES, SELECTIVE IMMUNOPROTEASOME INHIBITORS ARES TRADING SA (CH) 2018-08-22 EP claimed
US-9688702-B2 Alpha-amino boronic acid derivatives, selective immunoproteasome inhibitors ARES TRADING (CH) 2017-06-27 US claimed
US-20140364396-A1 Alpha-amino boronic acid derivatives, selective immunoproteasome inhibitors ARES TRADING SA (CH) 2014-12-11 US claimed
EP-2793900-A1 ALPHA-AMINO BORONIC ACID DERIVATIVES, SELECTIVE IMMUNOPROTEASOME INHIBITORS Ares Trading S.A. (CH) 2014-10-29 EP claimed
WO-2013092979-A1 ALPHA-AMINO BORONIC ACID DERIVATIVES, SELECTIVE IMMUNOPROTEASOME INHIBITORS ARES TRADING S.A. (CH) 2013-06-27 WO claimed
US-11858951-B2 Boronic acid derivatives MERCK PATENT GMBH (DE) 2024-01-02 US disclosed
EP-3826723-B1 BORONIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2023-10-18 EP disclosed
CN-111183142-B Boric acid derivatives 默克专利股份公司 2023-06-16 CN disclosed
EP-3672977-B1 BORONIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2022-06-22 EP disclosed
US-20220153761-A1 Boronic Acid Derivatives MERCK PATENT GMBH (DE) 2022-05-19 US disclosed
US-11274109-B2 Boronic acid derivatives MERCK PATENT GMBH (DE) 2022-03-15 US disclosed
US-20210317145-A1 Boronic Acid Derivatives MERCK PATENT GMBH (DE) 2021-10-14 US disclosed
EP-2265575-A2 SULFONAMIDES Merck Serono S.A. (CH) 2010-12-29 EP disclosed
US-20100305104-A1 Oxadiazole Diaryl Compounds MERCK SERONO SA 2010-12-02 US disclosed
US-20100210619-A1 6-Amino-Pyrimidine-4-Carboxamide Derivatives and Related Compounds Which Bind to the Sphingosine 1-Phosphate (S1P) Receptor for the Treatment of Multiple Sclerosis MERCK SERONO SA (CH) 2010-08-19 US disclosed
EP-2193126-A1 OXADIAZOLE DIARYL COMPOUNDS Merck Serono S.A. (CH) 2010-06-09 EP disclosed
EP-2183224-A1 6-AMINO-PYRIMIDINE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS WHICH BIND TO THE SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR FOR THE TREATMENT OF MULTIPLE SCLEROSIS Merck Serono S.A. (CH) 2010-05-12 EP disclosed
WO-2009124962-A2 SULFONAMIDES MERCK SERONO S.A. (CH) 2009-10-15 WO disclosed
WO-2009043890-A1 OXADIAZOLE DIARYL COMPOUNDS MERCK SERONO S.A. (CH) 2009-04-09 WO disclosed
WO-2009019167-A1 6-AMINO-PYRIMIDINE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS WHICH BIND TO THE SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR FOR THE TREATMENT OF MULTIPLE SCLEROSIS MERCK SERONO S.A. (CH) 2009-02-12 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-20210317145-A1 Boronic Acid Derivatives PSMB7, PSMA7, BRD7 KDM4E 2032/4885ACHE 1566/4885BCHE 144/4885
US-20100210619-A1 6-Amino-Pyrimidine-4-Carboxamide Derivatives and Related Compounds Which Bind to the Sphingosine 1-Phosphate (S1P) Receptor for the Treatment of Multiple Sclerosis S1PR1, S1PR5, S1PR3 KDM4E 573/4885ACHE 3924/4885BCHE 3830/4885
US-20220153761-A1 Boronic Acid Derivatives PSMB7, PSMA7, BRD7 KDM4E 2171/4885ACHE 2145/4885BCHE 191/4885
US-20100305104-A1 Oxadiazole Diaryl Compounds OXA1L, RO60, SSB KDM4E 1138/4885ACHE 640/4885BCHE 2531/4885
US-11274109-B2 Boronic acid derivatives PSMB7, PSMA7, BRD7 KDM4E 2168/4885ACHE 2179/4885BCHE 197/4885
US-20140364396-A1 Alpha-amino boronic acid derivatives, selective immunoproteasome inhibitors PSMB7, PSMA7, PSMB1 KDM4E 1318/4885ACHE 3297/4885BCHE 760/4885
US-11858951-B2 Boronic acid derivatives PSMB7, PSMA7, BRD7 KDM4E 2171/4885ACHE 2145/4885BCHE 191/4885

“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.