SCHEMBL2407907

SCHEMBL2407907

Cc1ccc[n+]([O-])c1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.39
ALDH1A1 P00352 3/20 0.38
SLC22A2 O15244 1/20 0.37
SLC22A1 O15245 1/20 0.37
SLC22A3 O75751 1/20 0.37
SLC6A4 P31645 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
TSHR P16473 1/20 0.36
ACHE P22303 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
BRD4 O60885 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34

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
SCHEMBL2512414 0.84 ACHE (0.38) MAPK14ALDH1A1TSHRACHELMNA
SCHEMBL1259809 0.82 TSHR (0.42) MAPK14ALDH1A1TSHRACHEMEN1
SCHEMBL10066070 0.81 ALDH1A1 (0.42) ALDH1A1TSHRACHEMEN1KMT2A
SCHEMBL1260047 0.78 MAPK14 (0.40) MAPK14ACHEKDM4EHSD17B10PDK1
SCHEMBL10081773 0.77 KMO (0.47) MAPK14ALDH1A1TSHRMEN1KMT2A
SCHEMBL5214230 0.77 MAPK14 (0.40) MAPK14ALDH1A1SLC22A2SLC22A1SLC22A3
SCHEMBL2985577 0.75 CYP2A6 (0.41) MAPK14ALDH1A1SLC22A2SLC22A1SLC22A3
SCHEMBL2975907 0.75 CA1 (0.43) MAPK14ALDH1A1TSHRMEN1KMT2A
SCHEMBL28231643 0.75 CLK4 (0.41) MAOBBRD4
SCHEMBL8136855 0.71 HSD11B1 (0.38) MAPK14ALDH1A1TSHRACHEKMT2A

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
EP-2539338-A1 NOVEL MICROBICIDES Syngenta Participations AG (CH) 2013-01-02 EP disclosed
US-20120316184-A1 NOVEL MICROBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-12-13 US disclosed
CN-102770433-A Novel microbicides SYNGENTA PARTICIPATIONS A G 2012-11-07 CN disclosed
WO-2012069652-A2 FUNGICIDE MIXTURES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-31 WO disclosed
US-20120129875-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-05-24 US disclosed
CN-102448954-A Substituted quinazolines as fungicides SYNGENTA PARTICIPATIONS AG 2012-05-09 CN disclosed
WO-2011104183-A1 NOVEL MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2011-09-01 WO disclosed
WO-2010136475-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-12-02 WO disclosed
CN-1989125-B 2-(pyridin-2-yl)-pyrimidines and their use for controlling pathogenic fungi BASF AG 2010-12-01 CN disclosed
US-20100286175-A1 2-(Pyridin-2-yl)-pyrimidines and Their Use for Controlling Harmful Fungi GRAMMENOS WASSILIOS 2010-11-11 US disclosed
US-7786043-B2 2-(pyridin-2-yl)-pyrimidines and their use for controlling harmful fungi BASF AKTIENGESELLSCHAFT (DE) 2010-08-31 US disclosed
US-20080027085-A1 2-(Pyridin-2-Yl)-Pyrimidines and Their Use for Controlling Harmful Fungi BASF AKTIENGESELLSCHAFT (DE) 2008-01-31 US disclosed
CN-1989125-A 2-(pyridin-2-yl)-pyrimidines and their use for controlling pathogenic fungi BASF AG (DE) 2007-06-27 CN disclosed
US-6291472-B1 4a, 5a, 8a, 8b-tetrahydro-6H-pyrrolo[3′,4′:4, 5]furo[3,2-b] pyri-dine-6,8(7H)-dione derivatives for control of endoparasites processes for their preparation BAYER AKTIENGESELLSCHAFT (DE) 2001-09-18 US disclosed
US-6110928-A HUMAN OR VETERINARY MEDICINE BAYER AKTIENGESELLSCHAFT (DE) 2000-08-29 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 (4 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-20080027085-A1 2-(Pyridin-2-Yl)-Pyrimidines and Their Use for Controlling Harmful Fungi CBR1, CBR3, CNPY2 MAPK14 2782/4885ALDH1A1 1007/4885SLC22A2 4203/4885
US-20120129875-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES NAT1, NQO2, NOX1 MAPK14 386/4885ALDH1A1 1125/4885SLC22A2 2663/4885
US-20100286175-A1 2-(Pyridin-2-yl)-pyrimidines and Their Use for Controlling Harmful Fungi CBR1, CBR3, CNPY2 MAPK14 2929/4885ALDH1A1 1029/4885SLC22A2 3937/4885
US-20120316184-A1 NOVEL MICROBICIDES NOX1, MSR1, FPR1 MAPK14 3770/4885ALDH1A1 116/4885SLC22A2 4566/4885

“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.