SCHEMBL264358

SCHEMBL264358

[CH2]C(C)c1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
ADRA2A P08913 4/20 0.46
ADRA2B P18089 4/20 0.46
ADRA2C P18825 4/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1B P35368 1/20 0.46
CYP2A6 P11509 2/20 0.44
SLC6A4 P31645 1/20 0.43
AOC3 Q16853 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL3255966 0.83 ALDH1A1 (0.62) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL7459660 0.83 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL1487679 0.83 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL66681 0.81 ALDH1A1 (0.60) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL2998678 0.81 ALDH1A1 (0.60) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL1306163 0.81 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL1199042 0.79 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL9862021 0.79 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL1199043 0.79 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL9614515 0.79 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A

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 594 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 claimed
US-11008317-B2 Triazolopyridine inhibitors of myeloperoxidase and/or EPX BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-18 US claimed
US-20200291016-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE AND/OR EPX BRISTOL MYERS SQUIBB CO (US) 2020-09-17 US claimed
US-20200291015-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2020-09-17 US claimed
WO-2017160632-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-21 WO claimed
WO-2017161145-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE AND/OR EPX BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-21 WO claimed
CN-1738829-B New 2',5'-oligoadenylic acid analog SANKYO CO 2012-11-28 CN claimed
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 US claimed
EP-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 EP claimed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 WO claimed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 US claimed
US-20060122184-A1 Cyanomethyl derivatives as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2006-06-08 US claimed
US-20050288336-A1 Cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-12-29 US claimed
EP-1569954-A1 CYANOMETHYL DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-09-07 EP claimed
EP-1503997-A1 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-02-09 EP claimed
WO-2004052921-A1 CYANOMETHYL DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-06-24 WO claimed
WO-2003097617-A1 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-11-27 WO claimed
US-20240218233-A1 AQUEOUS GELLABLE COMPOSITION AND PIPELINE PIGS OBTAINED THEREFROM HALLIBURTON ENERGY SERVICES, INC. (US) 2024-07-04 US disclosed
US-3978149-A HYDROGENATION OF ORGANIC COMPOUNDS EXXON RESEARCH AND ENGINEERING COMPANY (US) 1976-08-31 US disclosed
US-3932547-A CATALYTIC, OF BENZENE EXXON RESEARCH AND ENGINEERING COMPANY (US) 1976-01-13 US 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 (8 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 ALDH1A1 399/4885CYP1A2 180/4885CYP2C9 315/4885
US-20200291016-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE AND/OR EPX EPX, MPO, SERPINB1 ALDH1A1 382/4885CYP1A2 328/4885CYP2C9 391/4885
US-20060122184-A1 Cyanomethyl derivatives as cysteine protease inhibitors CTSF, CTSB, CTSK ALDH1A1 3662/4885CYP1A2 2375/4885CYP2C9 1265/4885
US-20050288336-A1 Cysteine protease inhibitors CTSF, CTSS, CTSB ALDH1A1 2872/4885CYP1A2 3328/4885CYP2C9 2308/4885
US-11008317-B2 Triazolopyridine inhibitors of myeloperoxidase and/or EPX EPX, MPO, SERPINB1 ALDH1A1 382/4885CYP1A2 328/4885CYP2C9 391/4885
US-20080015237-A1 NEW COMPOUNDS I/418 KCNH1, KCNH2, KCNH3 ALDH1A1 315/4885CYP1A2 8/4885CYP2C9 82/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 ALDH1A1 310/4885CYP1A2 27/4885CYP2C9 167/4885
US-11059818-B2 Triazolopyridine inhibitors of myeloperoxidase MPO, NOX5, SERPINB1 ALDH1A1 399/4885CYP1A2 180/4885CYP2C9 315/4885

“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.