SCHEMBL3677590

SCHEMBL3677590

O=C(O)C(=O)C[n+]1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HAO1 Q9UJM8 1/20 0.42
RAB9A P51151 1/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
HDAC8 Q9BY41 1/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
PABPC1 P11940 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33

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
SCHEMBL4258978 0.83 HTT (0.45) HTTSMN1; SMN2RAB9AKMT2AALDH1A1
Iodide SCHEMBL11239592 0.75 SMN1; SMN2 (0.42) HTTSMN1; SMN2RAB9AKMT2AALDH1A1
Bromide SCHEMBL2695097 0.73 RAB9A (0.70) HTTSMN1; SMN2RAB9AKMT2AALDH1A1
Bromide SCHEMBL3677595 0.68 KMT2A (0.35) RAB9AKMT2AKDM4E
Hydrochloric Acid SCHEMBL11693007 0.67 HTT (0.66) HTTSMN1; SMN2RAB9AKMT2AALDH1A1
SCHEMBL4401836 0.67 PABPC1 (0.67) HTTSMN1; SMN2RAB9AKMT2AALDH1A1
SCHEMBL4262110 0.67 LCK (0.50) SMN1; SMN2RAB9AKMT2AALDH1A1MAPK1
Bromide SCHEMBL2691176 0.66 KDM4E (0.70) HTTSMN1; SMN2RAB9AKMT2AALDH1A1
Iodide SCHEMBL1485891 0.66 PABPC1 (0.70) HTTSMN1; SMN2RAB9AKMT2AALDH1A1
SCHEMBL1290043 0.65 F2 (0.57) HTTSMN1; SMN2HAO1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4425628-B2 2010-03-03 JP claimed
EP-1435894-A4 CYTOPROTECTIVE COMPOUNDS, PHARMACEUTICAL AND COSMETIC FORMULATIONS, AND METHODS GALILEO PHARMACEUTICALS INC (US) 2005-07-06 EP claimed
JP-2005505519-A 2005-02-24 JP claimed
EP-1435894-A2 CYTOPROTECTIVE COMPOUNDS, PHARMACEUTICAL AND COSMETIC FORMULATIONS, AND METHODS Galileo Pharmaceuticals, Inc. (US) 2004-07-14 EP claimed
US-20030073712-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods JOHNSON & JOHNSON CONSUMER COMPANIES, INC. 2003-04-17 US claimed
WO-2003009807-A2 CYTOPROTECTIVE COMPOUNDS, PHARMACEUTICAL AND COSMETIC FORMULATIONS, AND METHODS GALILEO LABORATORIES, INC. (US) 2003-02-06 WO claimed
US-7629375-B2 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods JOHNSON & JOHNSON CONSUMER COMPANIES, INC. (US) 2009-12-08 US disclosed
US-20060178356-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods GALILEO PHARMACEUTICALS, INC. 2006-08-10 US disclosed
EP-1435894-A4 CYTOPROTECTIVE COMPOUNDS, PHARMACEUTICAL AND COSMETIC FORMULATIONS, AND METHODS GALILEO PHARMACEUTICALS INC (US) 2005-07-06 EP disclosed
US-20050142155-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods JOHNSON & JOHNSON CONSUMER INC. 2005-06-30 US disclosed
US-20050113416-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods GALILEO PHARMACEUTICALS, INC. 2005-05-26 US disclosed
EP-1435894-A2 CYTOPROTECTIVE COMPOUNDS, PHARMACEUTICAL AND COSMETIC FORMULATIONS, AND METHODS Galileo Pharmaceuticals, Inc. (US) 2004-07-14 EP disclosed
US-20030073712-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods JOHNSON & JOHNSON CONSUMER COMPANIES, INC. 2003-04-17 US disclosed
WO-2003009807-A2 CYTOPROTECTIVE COMPOUNDS, PHARMACEUTICAL AND COSMETIC FORMULATIONS, AND METHODS GALILEO LABORATORIES, INC. (US) 2003-02-06 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 (4 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-20050142155-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 HTT 320/4885SMN1; SMN2 474/4885HAO1 387/4885
US-20030073712-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 HTT 320/4885SMN1; SMN2 474/4885HAO1 387/4885
US-20050113416-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 HTT 320/4885SMN1; SMN2 474/4885HAO1 387/4885
US-20060178356-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 HTT 320/4885SMN1; SMN2 474/4885HAO1 387/4885

“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.