Sugi Predict

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SCHEMBL828432

SCHEMBL828432

CNC(=O)C(=NOC)c1ccccc1CON=C(C)c1cc(C)ccc1C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 8/20 0.44
▸ TSHR P16473 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ GAA P10253 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ HSD17B10 Q99714 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
SCHEMBL7101382 1.00 HIF1A (0.44) HIF1ATSHRCYP3A4CYP2D6CYP2C19
SCHEMBL25603522 0.90 HIF1A (0.43) HIF1AGAATP53LMNARAB9A
SCHEMBL23971865 0.87 HIF1A (0.35) HIF1ATSHRCYP3A4CYP2D6CYP2C19
SCHEMBL23972133 0.86 HIF1A (0.48) HIF1ALMNARAB9A
SCHEMBL12548819 0.86 HIF1A (0.56) HIF1APOLBLMNARAB9A
SCHEMBL23979245 0.85 HIF1A (0.44) HIF1ALMNARAB9A
SCHEMBL7500240 0.83 HIF1A (0.40) HIF1AGAATP53LMNARAB9A
SCHEMBL23971955 0.83 HIF1A (0.44) HIF1ARAB9A
SCHEMBL23971823 0.83 HIF1A (0.53) HIF1APOLBLMNARAB9A
SCHEMBL22326129 0.82 HIF1A (0.49) HIF1APOLBLMNARAB9A

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 23 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
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-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
EP-0984964-A1 PYRIDYLTHIO-DITHIAZOLE DERIVATIVES ADN THEIR USE AS PEST CONTROL AGENTS BAYER AG (DE) 2000-03-15 — — EP disclosed
EP-0982995-A1 ALGICIDES Bayer Aktiengesellschaft (DE) 2000-03-08 — — EP disclosed
WO-1998052945-A1 PYRIDYLTHIO-DITHIAZOLE DERIVATIVES ADN THEIR USE AS PEST CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1998-11-26 — — WO disclosed
WO-1998051154-A1 ALGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-11-19 — — WO disclosed
WO-1998039969-A1 ALGICIDAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1998-09-17 — — 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 (6 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 2331/4885TSHR 884/4885CYP3A4 1091/4885
US-20110098279-A1 USE OF TRIAZOLOPYRIMIDINE DERIVATIVES AS MICROBICIDES ARG2, MSR1, TK2 HIF1A 1989/4885TSHR 3363/4885CYP3A4 110/4885
US-20020151570-A1 Thiosulfonic acid S-esters as agents for protecting material TST, STS, SULT1E1 HIF1A 2360/4885TSHR 1828/4885CYP3A4 2194/4885
US-20030040540-A1 For use as biocides for protecting plants and industrial materials BROX, GPX1, PRDX3 HIF1A 2185/4885TSHR 4396/4885CYP3A4 1355/4885
US-20020198222-A1 Use of triazolopyrimidine derivatives as microbicides MSR1, FPR1, TK1 HIF1A 1434/4885TSHR 4426/4885CYP3A4 161/4885
US-20030207929-A1 3-nitroisoxazoles and their use in the protection of materials GPX1, NOX1, XDH HIF1A 541/4885TSHR 4218/4885CYP3A4 192/4885

“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.