SCHEMBL828172

SCHEMBL828172

CNC(=O)/C(=N\OC)c1ccccc1CO/N=C(/C)c1cccc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 6/20 0.52
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
RXFP1 Q9HBX9 4/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TP53 P04637 1/20 0.38

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
SCHEMBL123529 1.00 HIF1A (0.52) HIF1AMEN1KMT2AGAAPPARG
SCHEMBL30354029 1.00 HIF1A (0.52) HIF1AMEN1KMT2AGAAPPARG
SCHEMBL123530 1.00 HIF1A (0.52) HIF1AMEN1KMT2AGAAPPARG
SCHEMBL29765420 1.00 HIF1A (0.52) HIF1AMEN1KMT2AGAAPPARG
SCHEMBL14141835 1.00 HIF1A (0.52) HIF1AMEN1KMT2AGAAPPARG
SCHEMBL483559 1.00 HIF1A (0.52) HIF1AMEN1KMT2AGAAPPARG
SCHEMBL30158137 0.92 MEN1 (0.45) HIF1AMEN1KMT2AGAAPPARG
SCHEMBL13278820 0.92 MEN1 (0.45) HIF1AMEN1KMT2AGAAPPARG
SCHEMBL168688 0.92 MEN1 (0.45) HIF1AMEN1KMT2AGAAPPARG
SCHEMBL168689 0.92 MEN1 (0.45) HIF1AMEN1KMT2AGAAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143275-B2 Use of triazolopyrimidine derivatives as microbicides LANXESS DEUTSCHLAND GMBH (DE) 2012-03-27 US disclosed
US-20110098279-A1 USE OF TRIAZOLOPYRIMIDINE DERIVATIVES AS MICROBICIDES LANXESS DEUTSCHLAND GMBH (DE) 2011-04-28 US disclosed
US-7888371-B2 For protecting engineered wood, timber, or plastic from phytopathogenic fungi LANXESS DEUTSCHLAND GMBH (DE) 2011-02-15 US disclosed
EP-1395117-B2 USE OF TRIAZOLOPYRIMIDINE DERIVATIVES AS MICROBICIDES IN THE PROTECTION OF MATERIALS LANXESS DEUTSCHLAND GMBH (DE) 2009-09-30 EP disclosed
US-7084137-B2 Thiazines and thiazoles as agents for protecting materials BAYER AKTIENGESELLSCHAFT (DE) 2006-08-01 US disclosed
EP-1395117-B1 USE OF TRIAZOLOPYRIMIDINE DERIVATIVES AS MICROBICIDES IN THE PROTECTION OF MATERIALS LANXESS DEUTSCHLAND GMBH (DE) 2006-07-26 EP disclosed
US-6835842-B2 Microbiocides; bactericides BAYER AKTIENGESELLSCHAFT (DE) 2004-12-28 US disclosed
US-20040204405-A1 Thiazines and thiazoles as agents for protecting materials LANXESS DEUTSCHLAND GMBH (DE) 2004-10-14 US disclosed
EP-1395117-A1 USE OF TRIAZOLOPYRIMIDINE DERIVATIVES AS MICROBICIDES IN THE PROTECTION OF MATERIALS Bayer Chemicals AG (DE) 2004-03-10 EP disclosed
US-20030207929-A1 3-nitroisoxazoles and their use in the protection of materials LANXESS DEUTSCHLAND GMBH (DE) 2003-11-06 US disclosed
EP-1173428-A1 O-ARYL DITHIAZOLE DIOXIDES Bayer Aktiengesellschaft (DE) 2002-01-23 EP disclosed
WO-2001046163-A2 3-NITRO-DIHYDRO-ISOXAZOLES AND OXAZINES AND THEIR USE AS MICROBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-06-28 WO disclosed
WO-2000064881-A1 O-ARYL DITHIAZOLE DIOXIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-11-02 WO disclosed
US-6075019-A Arylthio-dithiazindioxides and their use as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2000-06-13 US disclosed
EP-0975611-A1 3-ALKOXY ISOTHIAZOLES BAYER AG (DE) 2000-02-02 EP disclosed
EP-0950055-A1 ARYLTHIO-DITHIAZINDIOXIDES AND THEIR USE AS PESTICIDES BAYER AG (DE) 1999-10-20 EP disclosed
WO-1998045258-A1 1-CYANO-2-ALKYLTHIO-2-ARYLTHIOETHENES BAYER AKTIENGESELLSCHAFT (DE) 1998-10-15 WO disclosed
WO-1998042689-A1 3-ALKOXY ISOTHIAZOLES BAYER AKTIENGESELLSCHAFT (DE) 1998-10-01 WO disclosed
WO-1998039969-A1 ALGICIDAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1998-09-17 WO disclosed
WO-1998029400-A1 ARYLTHIO-DITHIAZINDIOXIDES AND THEIR USE AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-07-09 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-20040204405-A1 Thiazines and thiazoles as agents for protecting materials POT1, NAT1, GPX1 HIF1A 2331/4885MEN1 97/4885KMT2A 4152/4885
US-20110098279-A1 USE OF TRIAZOLOPYRIMIDINE DERIVATIVES AS MICROBICIDES ARG2, MSR1, TK2 HIF1A 1989/4885MEN1 2916/4885KMT2A 3734/4885
US-20030207929-A1 3-nitroisoxazoles and their use in the protection of materials GPX1, NOX1, XDH HIF1A 541/4885MEN1 1505/4885KMT2A 3492/4885

“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.