SCHEMBL4882597

SCHEMBL4882597

Nc1cc(Cl)ccc1OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C19 P33261 1/20 0.57
SLC6A4 P31645 1/20 0.54
MRGPRX4 Q96LA9 4/20 0.53
PTGER1 P34995 5/20 0.52
HTR2C P28335 2/20 0.49
HTR2B P41595 2/20 0.49
STAT3 P40763 1/20 0.48
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
APP P05067 1/20 0.47
LTA4H P09960 1/20 0.47
MAPK14 Q16539 1/20 0.47

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
SCHEMBL11884926 0.86 SLC6A4 (0.54) SLC6A4MRGPRX4PTGER1HTR2CHTR2B
SCHEMBL7013006 0.85 CYP1A2 (0.69) CYP2C9CYP1A2CYP3A4CYP2C19MRGPRX4
SCHEMBL12505360 0.84 MRGPRX4 (0.55) CYP2C9CYP1A2CYP3A4CYP2C19SLC6A4
SCHEMBL13812974 0.83 HTR2C (0.56) CYP2C9CYP1A2CYP3A4CYP2C19SLC6A4
SCHEMBL6430443 0.83 PTGER1 (0.53) CYP2C9SLC6A4MRGPRX4PTGER1LTA4H
SCHEMBL11372714 0.82 MAPT (0.56) MAPTHTTAPPLTA4HMAPK14
SCHEMBL11114770 0.81 MAOB (0.59) CYP1A2CYP3A4CYP2C19LMNAMAPT
SCHEMBL8057639 0.81 LMNA (0.52) CYP1A2CYP2C19LMNAMAPTAPP
SCHEMBL1196687 0.80 CCR5 (0.64) SLC6A4MRGPRX4PTGER1STAT3
SCHEMBL3133767 0.80 LTA4H (0.55) MAPTAPPLTA4HMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067600-A1 SMALL MOLECULE INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION PORE (mtPTP) UNIVERSITY OF KANSAS (US) 2024-02-29 US disclosed
US-20220396547-A1 SMALL MOLECULE INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION PORE (mtPTP) UNIV KANSAS (US) 2022-12-15 US disclosed
US-10865181-B2 Small molecule inhibitors of the mitochondrial permeability transition pore (mtPTP) UNIVERSITY OF KANSAS (US) 2020-12-15 US disclosed
US-20180282264-A1 SMALL MOLECULE INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION PORE (mtPTP) UNIVERSITY OF KANSAS 2018-10-04 US disclosed
EP-3215152-A1 SMALL MOLECULE INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION PORE (mtPTP) The University of Kansas (US) 2017-09-13 EP disclosed
US-9550746-B2 Benzofuran-2-sulfonamides derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2017-01-24 US disclosed
US-9550746-B2 Benzofuran-2-sulfonamides derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2017-01-24 US disclosed
US-9550746-B2 Benzofuran-2-sulfonamides derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2017-01-24 US disclosed
WO-2016073633-A1 SMALL MOLECULE INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION PORE (mtPTP) UNIVERSITY OF KANSAS (US) 2016-05-12 WO disclosed
US-20150218119-A1 BENZOFURAN-2-SULFONAMIDES DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. 2015-08-06 US disclosed
US-20130231338-A1 BENZOFURAN-2-SULFONAMIDES DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-09-05 US disclosed
US-20130231338-A1 BENZOFURAN-2-SULFONAMIDES DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-09-05 US disclosed
US-20080275053-A1 Selective modulators of prostaglandin E2 at EP1 receptors; analgesics, antiinflammatory agents; neurodegenerative diseases, bone or renal disorders; 3-{1-[2-(benzyloxy)-phenyl]-5-methyl-1H-pyrrol-2-yl}-benzoic acid GLAXOSMITHKLINE 2008-11-06 US disclosed
US-20080275053-A1 Selective modulators of prostaglandin E2 at EP1 receptors; analgesics, antiinflammatory agents; neurodegenerative diseases, bone or renal disorders; 3-{1-[2-(benzyloxy)-phenyl]-5-methyl-1H-pyrrol-2-yl}-benzoic acid GLAXOSMITHKLINE 2008-11-06 US disclosed
US-20080275053-A1 Selective modulators of prostaglandin E2 at EP1 receptors; analgesics, antiinflammatory agents; neurodegenerative diseases, bone or renal disorders; 3-{1-[2-(benzyloxy)-phenyl]-5-methyl-1H-pyrrol-2-yl}-benzoic acid GLAXOSMITHKLINE 2008-11-06 US disclosed
EP-1670756-A1 HETEROCYCLYL COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-06-21 EP disclosed
WO-2005037786-A1 HETEROCYCLYL COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-04-28 WO disclosed
US-5179111-A IMIDAZOLE DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 1993-01-12 US disclosed
EP-0323799-B1 IMIDAZOLE DERIVATIVES II SCHERING AKTIENGESELLSCHAFT (DE) 1992-11-11 EP disclosed
EP-0323799-A1 Imidazole derivatives II SCHERING AKTIENGESELLSCHAFT (DE) 1989-07-12 EP 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-20240067600-A1 SMALL MOLECULE INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION PORE (mtPTP) MTCH2, TIMM50, TIMM10 CYP2C9 1776/4885CYP1A2 2048/4885CYP3A4 1451/4885
US-20220396547-A1 SMALL MOLECULE INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION PORE (mtPTP) MTCH2, TIMM50, TIMM10 CYP2C9 1776/4885CYP1A2 2048/4885CYP3A4 1451/4885
US-20150218119-A1 BENZOFURAN-2-SULFONAMIDES DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CXCR2, CCR2, CCR5 CYP2C9 2009/4885CYP1A2 2582/4885CYP3A4 1905/4885
US-20080275053-A1 Selective modulators of prostaglandin E2 at EP1 receptors; analgesics, antiinflammatory agents; neurodegenerative diseases, bone or renal disorders; 3-{1-[2-(benzyloxy)-phenyl]-5-methyl-1H-pyrrol-2-yl}-benzoic acid PTGER1, PTGER2, PTGDR CYP2C9 820/4885CYP1A2 384/4885CYP3A4 1749/4885
US-20180282264-A1 SMALL MOLECULE INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION PORE (mtPTP) MTCH2, TIMM50, TIMM10 CYP2C9 1776/4885CYP1A2 2048/4885CYP3A4 1451/4885
US-20130231338-A1 BENZOFURAN-2-SULFONAMIDES DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CXCR2, CCR2, CCR5 CYP2C9 2009/4885CYP1A2 2582/4885CYP3A4 1905/4885
US-10865181-B2 Small molecule inhibitors of the mitochondrial permeability transition pore (mtPTP) MTCH2, TIMM50, TIMM10 CYP2C9 1776/4885CYP1A2 2048/4885CYP3A4 1451/4885

“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.