SCHEMBL526503

SCHEMBL526503

O=C1[C]c2ccccc2O1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PKM P14618 1/20 0.31
TSHR P16473 1/20 0.31
ALOX5 P09917 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
TYMS P04818 1/20 0.30
AHR P35869 1/20 0.30

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
SCHEMBL577897 0.79 MAOA (0.42) ALOX5MAOAMAOBAHR
SCHEMBL4347018 0.73 ALOX15 (0.42) ALOX15TDP1PKMTSHRMAOA
SCHEMBL4347020 0.73 ALOX15 (0.42) ALOX15TDP1PKMTSHRMAOA
SCHEMBL1116430 0.68
SCHEMBL10841179 0.67 KDM4E (0.33) ALOX15TDP1PKMTSHRMAOA
SCHEMBL10841182 0.67 KDM4E (0.33) ALOX15TDP1PKMTSHRMAOA
SCHEMBL1593241 0.64 KDM4E (0.39) PKMTSHRALOX5MAOAMAOB
SCHEMBL1592611 0.64 ITGB2 (0.43) PKMTSHRMAOAMAOB
SCHEMBL1161749 0.64
Arsenic SCHEMBL28557236 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815873-B2 Heterocyclic amides as rock inhibitors AMAKEM NV (BE) 2014-08-26 US claimed
EP-2542528-B1 HETEROCYCLIC AMIDES AS ROCK INHIBITORS AMAKEM NV (BE) 2013-06-19 EP claimed
EP-2598480-A1 CYCLOPROPYLAMINE DERIVATIVES USEFUL AS LSD1 INHIBITORS Oryzon Genomics, S.A. (ES) 2013-06-05 EP claimed
US-20120322801-A1 HETEROCYCLIC AMIDES AS ROCK INHIBITORS AMAKEM NV (BE) 2012-12-20 US claimed
WO-2012013727-A1 CYCLOPROPYLAMINE DERIVATIVES USEFUL AS LSD1 INHIBITORS ORYZON GENOMICS S.A. (ES) 2012-02-02 WO claimed
US-20070299067-A1 Quinoline and isoquinoline derivatives as phosphodiesterase 10 inhibitors AMGEN INC. 2007-12-27 US claimed
US-6096895-A Heterocyclic dihydrazole compounds and their use for controlling fungal plant diseases E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-08-01 US claimed
US-6057352-A CONTROLLING PLANT DISEASES CAUSED BY FUNGAL PLANT PATHOGENS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-02 US claimed
WO-1998033382-A1 FUNGICIDAL COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-08-06 WO claimed
WO-1998023155-A1 ARTHROPODICIDAL AND FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-06-04 WO claimed
EP-0836384-A1 ARTHROPODICIDAL AND FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-04-22 EP claimed
EP-0825992-A1 FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-03-04 EP claimed
EP-0821677-A1 OXAZOLINE AND THIAZOLINE ARTHROPODICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-02-04 EP claimed
WO-1997000612-A1 ARTHROPODICIDAL AND FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-01-09 WO claimed
WO-1996036229-A1 FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-11-21 WO claimed
WO-1996036633-A1 FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-11-21 WO claimed
WO-1996033180-A1 OXAZOLINE AND THIAZOLINE ARTHROPODICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-10-24 WO claimed
EP-2598480-B1 CYCLOPROPYLAMINE DERIVATIVES USEFUL AS LSD1 INHIBITORS ORYZON GENOMICS SA (ES) 2019-04-24 EP disclosed
WO-1996033180-A1 OXAZOLINE AND THIAZOLINE ARTHROPODICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-10-24 WO disclosed
EP-0282390-A1 2,3-Dihydro-2-oxo-3-benzofuranyl acetic-acid derivatives and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1988-09-14 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 (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-20120322801-A1 HETEROCYCLIC AMIDES AS ROCK INHIBITORS ROCK1, ROCK2, CIT ALOX15 1218/4885TDP1 503/4885PKM 1092/4885
US-20070299067-A1 Quinoline and isoquinoline derivatives as phosphodiesterase 10 inhibitors PDE12, PDE10A, PDE4A ALOX15 3691/4885TDP1 192/4885PKM 3139/4885

“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.