SCHEMBL1543834

SCHEMBL1543834

CO[CH]Oc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA4 P22748 2/20 0.50
LTA4H P09960 5/20 0.42
TSHR P16473 1/20 0.41
TRPA1 O75762 1/20 0.38
AOC3 Q16853 1/20 0.35
KCNA3 P22001 1/20 0.35
CA5A P35218 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
TTR P02766 1/20 0.32
MAOB P27338 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL6606014 0.83 LTA4H (0.50) CA4LTA4HTSHRAOC3KCNA3
SCHEMBL28369275 0.80 LTA4H (0.47) CA4LTA4HTSHRAOC3KCNA3
SCHEMBL28481078 0.75 CA4 (0.46) CA4LTA4HTSHRTRPA1KCNA3
SCHEMBL712888 0.73 CA4 (0.39) CA4LTA4HTSHRTRPA1KCNA3
SCHEMBL6002697 0.73 LTA4H (0.43) CA4LTA4HTSHRKCNA3NPC1
SCHEMBL7057721 0.73 CA4 (0.39) CA4LTA4HTSHRKCNA3LMNA
SCHEMBL932 0.72
SCHEMBL2818333 0.71 LTA4H (0.50) CA4LTA4HTSHRAOC3KCNA3
SCHEMBL2818335 0.71 LTA4H (0.50) CA4LTA4HTSHRAOC3KCNA3
SCHEMBL16782647 0.71 LTA4H (0.50) CA4LTA4HTSHRAOC3KCNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3458459-B1 MACROCYCLIC INDOLE DERIVATIVES BAYER AG (DE) 2022-04-27 EP claimed
US-10981932-B2 Macrocyclic indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2021-04-20 US claimed
US-20200087322-A1 MACROCYCLIC INDOLE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-03-19 US claimed
EP-3458459-A1 MACROCYCLIC INDOLE DERIVATIVES Bayer Aktiengesellschaft (DE) 2019-03-27 EP claimed
WO-2017198341-A1 MACROCYCLIC INDOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2017-11-23 WO claimed
US-7456200-B2 Compounds ASTRAZENECA AB (SE) 2008-11-25 US claimed
WO-2007135417-A1 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2007-11-29 WO claimed
WO-2007135350-A1 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2007-11-29 WO claimed
WO-2006129120-A9 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2007-03-22 WO claimed
WO-2006129120-A2 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2006-12-07 WO claimed
US-20060122397-A1 Exhibiting an activity at metabotropic glutamate receptors (mGluRs), especially at the mGluR5 receptor; neurological disorders, psychiatric disorders, acute and chronic pain ASTRAZENECA AB (SE) 2006-06-08 US claimed
EP-1529045-A2 NEW COMPOUNDS Astra Zeneca AB (SE) 2005-05-11 EP claimed
US-20040152699-A1 Compounds ASTRAZENECA AND NPS PHARMACEUTICALS, INC. 2004-08-05 US claimed
EP-1140895-B1 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO (JP) 2004-03-24 EP claimed
WO-2004014881-A2 '1,2,4'OXADIAZOLES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 ASTRA ZENECA AB (SE) 2004-02-19 WO claimed
WO-1997041109-A1 SYNTHESIS OF (±) - CALICHEAMICINONE, PRECURSORS, INTERMEDIATES AND DERIVATIVES UNIVERSITY OF ALBERTA (CA) 1997-11-06 WO claimed
EP-3458459-B1 MACROCYCLIC INDOLE DERIVATIVES BAYER AG (DE) 2022-04-27 EP disclosed
CN-108699064-B Hexahydropyrazino-triazinone derivatives as kinase inhibitors UCB生物制药私人有限公司 2021-09-14 CN disclosed
US-5081287-A Pesticidal polyhalo alkenoic acid esters FMC CORPORATION (US) 1992-01-14 US disclosed
US-4379032-A Process for preparing oxazolineazetidinone derivatives OTSUKA KAGAKU YAKUHIN KABUSHIKI KAISHA (JP) 1983-04-05 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 (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-20040152699-A1 Compounds SDHA, CYP11B2, CYP11B1 CA4 1043/4885LTA4H 360/4885TSHR 4088/4885
US-20060122397-A1 Exhibiting an activity at metabotropic glutamate receptors (mGluRs), especially at the mGluR5 receptor; neurological disorders, psychiatric disorders, acute and chronic pain GRM5, GRIK5, GRM1 CA4 4622/4885LTA4H 1437/4885TSHR 769/4885
US-10981932-B2 Macrocyclic indole derivatives CCND2, IDO1, CCNT2 CA4 4643/4885LTA4H 1864/4885TSHR 420/4885
US-20200087322-A1 MACROCYCLIC INDOLE DERIVATIVES CCND2, CCNA1, CCNT2 CA4 4683/4885LTA4H 1938/4885TSHR 374/4885

“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.