SCHEMBL2804306

SCHEMBL2804306

CC(=NO)c1cccc(O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.58
MAPT P10636 3/20 0.58
GAA P10253 1/20 0.58
CASP3 P42574 1/20 0.52
GFER P55789 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
CA12 O43570 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
CA1 P00915 1/20 0.48
CA6 P23280 1/20 0.48
PARP1 P09874 1/20 0.47
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
CYP3A4 P08684 2/20 0.46
CA5A P35218 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CA14 Q9ULX7 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
SCHEMBL2804304 1.00 KDM4E (0.58) KDM4EMAPTGAACASP3GFER
SCHEMBL18021074 0.83 KDM4E (0.58) KDM4EMAPTGAACA12CA2
SCHEMBL16710523 0.81 KDM4E (0.56) KDM4EMAPTGAACA12CA2
SCHEMBL13310281 0.79 KDM4E (0.54) KDM4EMAPTGAACA12CA2
SCHEMBL6841042 0.78 PARP1 (0.50) KDM4EMAPTCASP3GFERSENP8
SCHEMBL30620493 0.78 PARP1 (0.50) KDM4EMAPTCASP3GFERSENP8
SCHEMBL8407427 0.78 PARP1 (0.50) KDM4EMAPTCASP3GFERSENP8
SCHEMBL13128199 0.78 KDM4E (0.53) KDM4EMAPTGAACA12CA2
SCHEMBL10281920 0.78 KDM4E (0.67) KDM4EMAPTGAACA12CA2
SCHEMBL16683714 0.78 KDM4E (0.53) KDM4EMAPTGAACA12CA2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108355709-B Application of bismuth trifluoromethanesulfonate as Beckmann rearrangement reaction catalyst 嘉兴学院 2020-12-08 CN claimed
US-20080255383-A1 PREPARATION OF RIVASTIGMINE AND ITS SALTS DR. REDDY'S LABORATORIES, INC. 2008-10-16 US claimed
CN-108355709-B Application of bismuth trifluoromethanesulfonate as Beckmann rearrangement reaction catalyst 嘉兴学院 2020-12-08 CN disclosed
CN-108355709-A Purposes of the Bismuth triflate as Beckmann rearrangement catalyst 嘉兴学院 2018-08-03 CN disclosed
US-9725423-B2 Tetrazolinone compound and applications thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-08 US disclosed
WO-2014084223-A1 TETRAZOLINONE COMPOUND AND USE THEREOF 住友化学株式会社 (JP) 2014-06-05 WO disclosed
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 US disclosed
WO-2010108059-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS ANTAGONISTS OF THE HISTAMINE H4 RECEPTOR INCYTE CORPORATION (US) 2010-09-23 WO disclosed
EP-0934283-A2 ARTHROPODICIDAL AND FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-08-11 EP disclosed
EP-0929570-A1 MODIFIED CYTOSTATIC AGENTS BAYER AG (DE) 1999-07-21 EP disclosed
WO-1998015571-A1 MODIFIED CYTOSTATIC AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1998-04-16 WO disclosed
WO-1998005652-A2 ARTHROPODICIDAL AND FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-02-12 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 (3 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-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS HRH4, HRH2, HRH1 KDM4E 1238/4885MAPT 3212/4885GAA 3135/4885
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS HRH4, HRH2, HRH1 KDM4E 972/4885MAPT 2968/4885GAA 2165/4885
US-20080255383-A1 PREPARATION OF RIVASTIGMINE AND ITS SALTS ACHE, EHMT1, BCHE KDM4E 23/4885MAPT 1060/4885GAA 4004/4885

“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.