SCHEMBL828434

SCHEMBL828434

CNC(=O)/C(=N\OC)c1ccccc1CO/N=C(C)/C(=N/OC)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 8/20 0.47
PTGS2 P35354 1/20 0.39
NPC1 O15118 2/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
HPGD P15428 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
SCHEMBL828435 1.00 HIF1A (0.47) HIF1APTGS2NPC1RAB9AALDH1A1
SCHEMBL17937974 1.00 HIF1A (0.47) HIF1APTGS2NPC1RAB9AALDH1A1
SCHEMBL13148668 1.00 HIF1A (0.47) HIF1APTGS2NPC1RAB9AALDH1A1
SCHEMBL7171768 0.92 HIF1A (0.43) HIF1APTGS2RAB9AALDH1A1LMNA
SCHEMBL7171770 0.92 HIF1A (0.43) HIF1APTGS2RAB9AALDH1A1LMNA
SCHEMBL7716053 0.91 HIF1A (0.48) HIF1APTGS2NPC1RAB9AALDH1A1
SCHEMBL17937978 0.91 HIF1A (0.42) HIF1APTGS2NPC1RAB9ALMNA
SCHEMBL7713710 0.91 HIF1A (0.42) HIF1APTGS2NPC1RAB9ALMNA
SCHEMBL17937973 0.91 HIF1A (0.48) HIF1APTGS2NPC1RAB9AALDH1A1
SCHEMBL7716055 0.91 HIF1A (0.48) HIF1APTGS2NPC1RAB9AALDH1A1

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 19 patents. 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
US-7084137-B2 Thiazines and thiazoles as agents for protecting materials BAYER AKTIENGESELLSCHAFT (DE) 2006-08-01 US disclosed
US-20040204405-A1 Thiazines and thiazoles as agents for protecting materials LANXESS DEUTSCHLAND GMBH (DE) 2004-10-14 US disclosed
EP-1437940-A1 THIAZINES AND THIAZOLES FOR USE AS MATERIAL PROTECTIVE AGENTS Bayer Chemicals AG (DE) 2004-07-21 EP disclosed
US-20030207929-A1 3-nitroisoxazoles and their use in the protection of materials LANXESS DEUTSCHLAND GMBH (DE) 2003-11-06 US disclosed
US-6638958-B2 3-nitroisoxazoles and their use in the protection of materials BAYER AKTIENGESELLSCHAFT (DE) 2003-10-28 US disclosed
US-20030166698-A1 3-NITROISOXAZOLES AND THEIR USE IN THE PROTECTION OF MATERIALS LANXESS DEUTSCHLAND GMBH (DE) 2003-09-04 US disclosed
EP-0982995-B1 ALGICIDES BAYER AG (DE) 2003-08-20 EP disclosed
US-20030129081-A1 Thiazines and thiazoles as agents for protecting materials BAYER AKTIENGESELLSCHAFT (DE) 2003-07-10 US disclosed
US-6531496-B1 Pesticides in crop protection BAYER AKTIENGESELLSCHAFT (DE) 2003-03-11 US disclosed
US-20030040540-A1 For use as biocides for protecting plants and industrial materials BAYER AKTIENGESELLSCHAFT (DE) 2003-02-27 US disclosed
WO-2003001913-A1 THIAZINES AND THIAZOLES FOR USE AS MATERIAL PROTECTIVE AGENTS BAYER CHEMICALS AG (DE) 2003-01-09 WO disclosed
US-20020198222-A1 Use of triazolopyrimidine derivatives as microbicides LANXESS DEUTSCHLAND GMBH (DE) 2002-12-26 US disclosed
US-6075019-A Arylthio-dithiazindioxides and their use as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2000-06-13 US disclosed
EP-0982995-A1 ALGICIDES Bayer Aktiengesellschaft (DE) 2000-03-08 EP disclosed
WO-1999062911-A1 PYRIDODITHIAZINE DIOXIDES BAYER AKTIENGESELLSCHAFT (DE) 1999-12-09 WO disclosed
WO-1998051154-A1 ALGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-11-19 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 (7 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-20030129081-A1 Thiazines and thiazoles as agents for protecting materials POT1, NAT1, GPX1 HIF1A 2331/4885PTGS2 2032/4885NPC1 555/4885
US-20040204405-A1 Thiazines and thiazoles as agents for protecting materials POT1, NAT1, GPX1 HIF1A 2331/4885PTGS2 2032/4885NPC1 555/4885
US-20110098279-A1 USE OF TRIAZOLOPYRIMIDINE DERIVATIVES AS MICROBICIDES ARG2, MSR1, TK2 HIF1A 1989/4885PTGS2 767/4885NPC1 3661/4885
US-20030040540-A1 For use as biocides for protecting plants and industrial materials BROX, GPX1, PRDX3 HIF1A 2185/4885PTGS2 1413/4885NPC1 1458/4885
US-20030166698-A1 3-NITROISOXAZOLES AND THEIR USE IN THE PROTECTION OF MATERIALS GPX1, NOX1, XDH HIF1A 541/4885PTGS2 459/4885NPC1 1665/4885
US-20020198222-A1 Use of triazolopyrimidine derivatives as microbicides MSR1, FPR1, TK1 HIF1A 1434/4885PTGS2 931/4885NPC1 2335/4885
US-20030207929-A1 3-nitroisoxazoles and their use in the protection of materials GPX1, NOX1, XDH HIF1A 541/4885PTGS2 459/4885NPC1 1665/4885

“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.