Sugi Predict

Sugi Predict / Compounds / SCHEMBL7006649

SCHEMBL7006649

SCHEMBL7006649

COc1nn(C)c(=O)n1-c1ccccc1CO/N=C(\C)c1cccc(C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.36
▸ MAPT P10636 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ PPARG P37231 5/20 0.35
▸ PPARA Q07869 4/20 0.35
▸ HIF1A Q16665 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HTT P42858 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ ELANE P08246 1/20 0.34
▸ BCHE P06276 1/20 0.33
▸ MEN1 O00255 2/20 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
SCHEMBL14329161 0.89 ELANE (0.37) KMT2AMAPTHPGDALDH1A1HSP90AA1
SCHEMBL119998 0.87 KMT2A (0.37) KMT2AMAPTHPGDALDH1A1GAA
SCHEMBL119997 0.87 KMT2A (0.37) KMT2AMAPTHPGDALDH1A1GAA
SCHEMBL959562 0.87 KMT2A (0.37) KMT2AMAPTHPGDALDH1A1GAA
SCHEMBL29870686 0.87 KMT2A (0.37) KMT2AMAPTHPGDALDH1A1GAA
SCHEMBL8791888 0.86 PPARG (0.39) KMT2AMAPTALDH1A1PPARGPPARA
SCHEMBL8791884 0.86 PPARG (0.39) KMT2AMAPTALDH1A1PPARGPPARA
SCHEMBL8445662 0.85 PPARG (0.33) PPARGPPARAHIF1AHTTL3MBTL1
SCHEMBL8445661 0.85 PPARG (0.33) PPARGPPARAHIF1AHTTL3MBTL1
SCHEMBL798616 0.84 RXFP1 (0.34) PPARGPPARAHIF1A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10004223-B2 Methods for generating high aspect-ratio polymeric particles comprising an active ingredient SYNGENTA CROP PROTECTION LLC (US) 2018-06-26 — — US disclosed
US-20140045890-A1 NOVEL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-02-13 — — US disclosed
US-20130096227-A1 FORMULATIONS CONTAINING A PLASTICIZER AND FUNGICIDE AND ARTICLES MADE THEREFROM LANXESS CORPORATION (US) 2013-04-18 — — US disclosed
US-20130096156-A1 QUINOLINE DERIVATIVES AS FUNGICIDES SYNGENTA CROP PROTECTION LLC (US) 2013-04-18 — — US disclosed
US-20130065922-A1 NOVEL AMIDES AS FUNGICIDES SYNGENTA CROP PROTECTION LLC (US) 2013-03-14 — — US disclosed
US-20120329648-A1 METHODS FOR GENERATING HIGH ASPECT-RATIO POLYMERIC PARTICLES COMPRISING AN ACTIVE INGREDIENT SYNGENTA CROP PROTECTION LLC (US) 2012-12-27 — — US disclosed
US-20120308631-A1 AQUEOUS COATING COMPOSITIONS SYNGENTA CROP PROTECTION LLC (US) 2012-12-06 — — US disclosed
US-20120118197-A1 BUILDING MATERIALS RESISTANT TO ROOT PENETRATION AND METHODS FOR MAKING THE SAME LANXESS DEUTSCHLAND GMBH (DE) 2012-05-17 — — US disclosed
US-20110166109-A1 Synergistic Active Compound Combinations Comprising Phenyltriazoles BAYER CROPSCIENCE AG (DE) 2011-07-07 — — US disclosed
US-20110166109-A1 Synergistic Active Compound Combinations Comprising Phenyltriazoles BAYER CROPSCIENCE AG (DE) 2011-07-07 — — US disclosed
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-12-30 — — US disclosed
US-20100048546-A1 FUNGICIDAL COMBINATIONS COMPRISING A GLYOXALIC ACID METHYL ESTER-O-METHYLOXIME DERIVATIVES ZURFLUEH RENE 2010-02-25 — — 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 (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-20130096156-A1 QUINOLINE DERIVATIVES AS FUNGICIDES CYP1A1, CYP4X1, CYP3A7 KMT2A 1704/4885MAPT 3609/4885HPGD 3828/4885
US-20120329648-A1 METHODS FOR GENERATING HIGH ASPECT-RATIO POLYMERIC PARTICLES COMPRISING AN ACTIVE INGREDIENT ALG1, AGPS, PFAS KMT2A 1913/4885MAPT 209/4885HPGD 3341/4885
US-20120308631-A1 AQUEOUS COATING COMPOSITIONS ACHE, CFL1, PWWP2B KMT2A 958/4885MAPT 130/4885HPGD 4481/4885
US-10004223-B2 Methods for generating high aspect-ratio polymeric particles comprising an active ingredient ALG1, AGPS, PFAS KMT2A 1913/4885MAPT 209/4885HPGD 3341/4885
US-20110166109-A1 Synergistic Active Compound Combinations Comprising Phenyltriazoles NAT1, ACAT1, CAT KMT2A 1304/4885MAPT 243/4885HPGD 4493/4885
US-20130065922-A1 NOVEL AMIDES AS FUNGICIDES CYP51A1, DDT, CYP4X1 KMT2A 1179/4885MAPT 3288/4885HPGD 4473/4885
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES DDT, ACHE, TPM3 KMT2A 4054/4885MAPT 2103/4885HPGD 2633/4885
US-20100048546-A1 FUNGICIDAL COMBINATIONS COMPRISING A GLYOXALIC ACID METHYL ESTER-O-METHYLOXIME DERIVATIVES GLO1, AGXT, GNMT KMT2A 740/4885MAPT 3614/4885HPGD 2211/4885
US-20140045890-A1 NOVEL COMPOUNDS CYP1B1, CYP1A1, CYP51A1 KMT2A 3332/4885MAPT 3909/4885HPGD 4198/4885

“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.