SCHEMBL80282

SCHEMBL80282

BrCCCc1ccc2ccccc2c1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.59
CYP1A2 P05177 2/20 0.58
CYP2A6 P11509 1/20 0.52
HDAC1 Q13547 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HRH3 Q9Y5N1 1/20 0.49
BCHE P06276 3/20 0.47
MC4R P32245 1/20 0.46
MC5R P33032 1/20 0.46

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
SCHEMBL9129308 0.94 SIGMAR1 (0.58) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL6897512 0.94 SIGMAR1 (0.53) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL7621730 0.92 SIGMAR1 (0.56) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL8422096 0.92 SIGMAR1 (0.56) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL9588844 0.92 SIGMAR1 (0.56) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL31036062 0.92 SIGMAR1 (0.56) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL9672316 0.91 SIGMAR1 (0.47) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL314040 0.87 CYP1A2 (0.56) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL30985268 0.87 CYP1A2 (0.56) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL30746339 0.87 SIGMAR1 (0.68) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11059818-B2 Triazolopyridine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-13 US disclosed
US-20200291015-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2020-09-17 US disclosed
WO-2017160632-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-21 WO disclosed
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
CN-101730677-B Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2014-07-16 CN disclosed
WO-2012062996-A1 DERIVATIVES OF 6-AMINO-6-DEOXYGLUCOSAMINE AND USE OF SAME AS ANTIBACTERIAL AGENTS UNIVERSITE JOSEPH FOURIER (FR) 2012-05-18 WO disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
EP-1578777-A2 IAP BINDING COMPOUNDS The Trustees of Princeton University (US) 2005-09-28 EP disclosed
WO-2004007529-A2 IAP BINDING COMPOUNDS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2004-01-22 WO disclosed
EP-0512352-B1 Substituted carboxylic acid derivatives HOFFMANN LA ROCHE (CH) 1996-03-27 EP disclosed
US-5422038-A Ferroelectric liquid crystal material with sufficient spontaneous polarization, high speed response capability, wide temperature range SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-06-06 US disclosed
EP-0416946-B1 Optically active naphthalene derivative, process for preparation thereof, liquid crystal composition containing the same as effective component, and liquid crystal element using the same SUMITOMO CHEMICAL CO (JP) 1994-11-09 EP disclosed
US-5344843-A Carnitine acryltransferase enzyme inhibitors as antiischemic agents and for cardiovascular disorders HOFFMAN-LA ROCHE INC. (US) 1994-09-06 US disclosed
EP-0512352-A2 Substituted carboxylic acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1992-11-11 EP disclosed
EP-0416946-A2 Optically active naphthalene derivative, process for preparation thereof, liquid crystal composition containing the same as effective component, and liquid crystal element using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-03-13 EP disclosed
EP-0250530-A1 NEW ARYL DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1988-01-07 EP disclosed
WO-1987004152-A1 NEW ARYL DERIVATIVES THE WELLCOME FOUNDATION LTD. (GB) 1987-07-16 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-20200291015-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE MPO, NOX5, SERPINB1 SIGMAR1 2852/4885CYP1A2 180/4885CYP2A6 1322/4885
US-11059818-B2 Triazolopyridine inhibitors of myeloperoxidase MPO, NOX5, SERPINB1 SIGMAR1 2852/4885CYP1A2 180/4885CYP2A6 1322/4885

“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.