SCHEMBL828228

SCHEMBL828228

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

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 8/20 0.47
PTGS2 P35354 1/20 0.37
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL828229 1.00 HIF1A (0.47) HIF1APTGS2KDM4ESMN1; SMN2TDP1
SCHEMBL7875521 0.92 HIF1A (0.42) HIF1APTGS2KDM4ESMN1; SMN2
SCHEMBL7875524 0.92 HIF1A (0.42) HIF1APTGS2KDM4ESMN1; SMN2
SCHEMBL17949973 0.92 HIF1A (0.42) HIF1ASMN1; SMN2
SCHEMBL17949970 0.92 HIF1A (0.47) HIF1APTGS2KDM4ESMN1; SMN2TDP1
SCHEMBL8725188 0.90 HIF1A (0.40) HIF1APTGS2
SCHEMBL8725191 0.90 HIF1A (0.40) HIF1APTGS2
SCHEMBL7863544 0.90 HIF1A (0.40) HIF1APTGS2
SCHEMBL18291973 0.89 HIF1A (0.42) HIF1APTGS2
SCHEMBL8711326 0.88 PTGS2 (0.38) HIF1APTGS2KDM4ESMN1; SMN2TDP1

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 15 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-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
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
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
US-20020198222-A1 Use of triazolopyrimidine derivatives as microbicides LANXESS DEUTSCHLAND GMBH (DE) 2002-12-26 US disclosed
US-20020151570-A1 Thiosulfonic acid S-esters as agents for protecting material BAYER AKTIENGESELLSCHAFT (DE) 2002-10-17 US disclosed
US-6075019-A Arylthio-dithiazindioxides and their use as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2000-06-13 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 (8 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 2032/4885KDM4E 4842/4885
US-20040204405-A1 Thiazines and thiazoles as agents for protecting materials POT1, NAT1, GPX1 HIF1A 2331/4885PTGS2 2032/4885KDM4E 4842/4885
US-20110098279-A1 USE OF TRIAZOLOPYRIMIDINE DERIVATIVES AS MICROBICIDES ARG2, MSR1, TK2 HIF1A 1989/4885PTGS2 767/4885KDM4E 3020/4885
US-20020151570-A1 Thiosulfonic acid S-esters as agents for protecting material TST, STS, SULT1E1 HIF1A 2360/4885PTGS2 1152/4885KDM4E 4708/4885
US-20030040540-A1 For use as biocides for protecting plants and industrial materials BROX, GPX1, PRDX3 HIF1A 2185/4885PTGS2 1413/4885KDM4E 4369/4885
US-20030166698-A1 3-NITROISOXAZOLES AND THEIR USE IN THE PROTECTION OF MATERIALS GPX1, NOX1, XDH HIF1A 541/4885PTGS2 459/4885KDM4E 4297/4885
US-20020198222-A1 Use of triazolopyrimidine derivatives as microbicides MSR1, FPR1, TK1 HIF1A 1434/4885PTGS2 931/4885KDM4E 3798/4885
US-20030207929-A1 3-nitroisoxazoles and their use in the protection of materials GPX1, NOX1, XDH HIF1A 541/4885PTGS2 459/4885KDM4E 4297/4885

“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.