Sugi Predict

Sugi Predict / Compounds / SCHEMBL343887

SCHEMBL343887

SCHEMBL343887

CO/N=C(\C(=O)NCCc1ccc(OC)c(OC)c1)c1ccc(Br)cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.62
▸ MAPT P10636 3/20 0.62
▸ POLB P06746 1/20 0.54
▸ GRK2 P25098 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ CA12 O43570 1/20 0.53
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ CA9 Q16790 1/20 0.53
▸ THRB P10828 1/20 0.52
▸ HPGD P15428 1/20 0.52

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
SCHEMBL343888 1.00 ALDH1A1 (0.62) ALDH1A1MAPTPOLBGRK2GAA
SCHEMBL19186488 0.90 ALDH1A1 (0.63) ALDH1A1MAPTPOLBGRK2GAA
SCHEMBL344512 0.90 ALDH1A1 (0.55) ALDH1A1MAPTPOLBGAACA12
SCHEMBL344325 0.90 ALDH1A1 (0.67) ALDH1A1MAPTPOLBGAACA12
SCHEMBL344326 0.90 ALDH1A1 (0.67) ALDH1A1MAPTPOLBGAACA12
SCHEMBL344511 0.90 ALDH1A1 (0.55) ALDH1A1MAPTPOLBGAACA12
SCHEMBL6817046 0.89 ALDH1A1 (0.51) ALDH1A1MAPTPOLBGRK2GAA
SCHEMBL6817047 0.89 ALDH1A1 (0.51) ALDH1A1MAPTPOLBGRK2GAA
SCHEMBL344012 0.89 GAA (0.69) ALDH1A1MAPTGAACA12CA1
SCHEMBL19908361 0.89 ALDH1A1 (0.62) ALDH1A1MAPTPOLBGRK2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160150785-A1 Synergistic Fungicidal Active Substance Combinations BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-02 — — US claimed
US-20140213557-A1 Active Compound Combinations BAYER CROPSCIENCE AG (DE) 2014-07-31 — — US claimed
US-20130196981-A1 Synergistic Fungicidal Active Substance Combinations BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-01 — — US claimed
EP-2023724-B8 SYNERGISTIC ACTIVE INGREDIENT COMBINATIONS BAYER CROPSCIENCE AG (DE) 2012-06-06 — — EP claimed
EP-2453750-A2 SYNERGISTIC ACTIVE SUBSTANCE COMBINATIONS CONTAINING PHENYL TRIAZOLES Bayer CropScience AG (DE) 2012-05-23 — — EP claimed
US-20120015910-A1 Synergistic fungicidal active substance combinations BAYER CROPSCIENCE AG (DE) 2012-01-19 — — US claimed
US-20110166109-A1 Synergistic Active Compound Combinations Comprising Phenyltriazoles BAYER CROPSCIENCE AG (DE) 2011-07-07 — — US claimed
US-20110152097-A1 Active Compound Combinations BAYER CROPSCIENCE AG (DE) 2011-06-23 — — US claimed
WO-2011006603-A2 SYNERGISTIC ACTIVE SUBSTANCE COMBINATIONS CONTAINING PHENYL TRIAZOLES BAYER CROPSCIENCE AG (DE) 2011-01-20 — — WO claimed
US-20100273648-A1 Synergistic Fungicidal Active Substance Combinations BAYER CROPSCIENCE AG (DE) 2010-10-28 — — US claimed
US-20090018015-A1 Synergistic Fungicidal Active Combinations BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2009-01-15 — — US claimed
WO-2008092580-A2 SYNERGISTIC FUNGICIDAL COMBINATIONS COMPRISING FORMONONETIN BAYER CROPSCIENCE AG (DE) 2008-08-07 — — WO claimed
EP-1895846-A1 FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS Bayer CropScience AG (DE) 2008-03-12 — — EP claimed
WO-2007134778-A2 SYNERGISTIC ACTIVE INGREDIENT COMBINATIONS BAYER CROPSCIENCE AG (DE) 2007-11-29 — — WO claimed
WO-2007101547-A2 SYNERGISTIC COMBINATIONS OF ACTIVE INGREDIENTS BAYER CROPSCIENCE AG (DE) 2007-09-13 — — WO claimed
JP-2007509088-A — — 2007-04-12 — — JP claimed
US-20070060579-A1 Synergistic fungicidal active substance combinations BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-03-15 — — US claimed
WO-2006131246-A1 FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS BAYER CROPSCIENCE AG (DE) 2006-12-14 — — WO claimed
EP-1677598-A2 SYNERGISTIC FUNGICIDAL ACTIVE COMBINATIONS Bayer CropScience Aktiengesellschaft (DE) 2006-07-12 — — EP claimed
WO-2005041653-A2 SYNERGISTIC FUNGICIDAL ACTIVE COMBINATIONS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-05-12 — — WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 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-20110152097-A1 Active Compound Combinations AGXT, GLUL, GMNN ALDH1A1 4519/4885MAPT 415/4885POLB 3094/4885
US-20100273648-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 ALDH1A1 219/4885MAPT 4293/4885POLB 3489/4885
US-20090018015-A1 Synergistic Fungicidal Active Combinations CYP51A1, CYP1A2, CYP3A7 ALDH1A1 241/4885MAPT 4438/4885POLB 4382/4885
US-20160150785-A1 Synergistic Fungicidal Active Substance Combinations CYP1A2, CAT, CYP51A1 ALDH1A1 148/4885MAPT 4339/4885POLB 3949/4885
US-20140213557-A1 Active Compound Combinations AGXT, GLUL, GMNN ALDH1A1 4519/4885MAPT 415/4885POLB 3094/4885
US-20110166109-A1 Synergistic Active Compound Combinations Comprising Phenyltriazoles NAT1, ACAT1, CAT ALDH1A1 972/4885MAPT 243/4885POLB 4026/4885
US-20070060579-A1 Synergistic fungicidal active substance combinations CYP51A1, CYP1A2, CYP4X1 ALDH1A1 106/4885MAPT 4345/4885POLB 3814/4885
US-20120015910-A1 Synergistic fungicidal active substance combinations CYP51A1, CYP1A2, CYP4X1 ALDH1A1 106/4885MAPT 4345/4885POLB 3814/4885
US-20130196981-A1 Synergistic Fungicidal Active Substance Combinations CYP51A1, CYP1A2, CYP4X1 ALDH1A1 106/4885MAPT 4345/4885POLB 3814/4885

“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.