SCHEMBL921233

SCHEMBL921233

N#Cc1ccccc1COc1c[c]ccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.49
MAOB P27338 3/20 0.44
PLAU P00749 1/20 0.42
ALKBH1 Q13686 1/20 0.42
KCNH2 Q12809 1/20 0.41
KMT2A Q03164 2/20 0.40
SPHK2 Q9NRA0 2/20 0.39
SPHK1 Q9NYA1 1/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
ADAMTS4 O75173 1/20 0.38
MMP13 P45452 1/20 0.38
HPGD P15428 1/20 0.38
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL9270379 0.83 FFAR1 (0.64) FFAR1MAOBPLAUALKBH1KCNH2
SCHEMBL920681 0.82 FFAR1 (0.56) FFAR1MAOBPLAUALKBH1KCNH2
SCHEMBL919574 0.78 NR4A2 (0.49) MAOBKMT2AHPGDMAPTMEN1
SCHEMBL920290 0.78 MAOB (0.51) MAOBKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL919794 0.78 MAOB (0.49) FFAR1MAOBKMT2AKDM4E
SCHEMBL15607572 0.75 FFAR1 (0.52) FFAR1MAOBPLAUALKBH1KCNH2
SCHEMBL920242 0.75 IDO1 (0.49) ALKBH1KMT2ASPHK2SPHK1ALDH1A1
SCHEMBL9034998 0.75 NPC1 (0.54) FFAR1KMT2ASPHK2SPHK1MAPT
SCHEMBL28102421 0.75 PLAU (0.45) FFAR1MAOBPLAUALKBH1KMT2A
SCHEMBL811204 0.74 MAOB (0.55) FFAR1MAOBPLAUALKBH1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201649-A1 AGRICULTURAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 US disclosed
EP-2345328-A1 COMPOSITION FOR AGRICULTURAL USE Sumitomo Chemical Company, Limited (JP) 2011-07-20 EP disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP disclosed
EP-1407667-B1 HERBICIDE CONTAINING SUBSTITUTED PYRAZOLE DERIVATIVE AS ACTIVE INGREDIENT SDS BIOTECH CORP (JP) 2007-09-26 EP disclosed
EP-1464642-B1 NOVEL SUBSTITUTED PYRAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND HERBICIDAL COMPOSITION CONTAINING THE SAME SDS BIOTECH CORP (JP) 2007-08-29 EP disclosed
US-7192906-B2 Substituted pyrazole derivatives, production process thereof, and herbicide compositions containing the derivatives SDS BIOTECH K.K. (JP) 2007-03-20 US disclosed
EP-0945437-B1 Pyrazolyl acrylic acid- and pyrazolyl oximino-acetic acid derivatives, their preparation and their use as fungicides SDS BIOTECH CORP (JP) 2006-11-02 EP disclosed
US-20050014649-A1 Novel substituted pyrazole derivative, process for producing the same, and herbicidal composition containing the same SDS BIOTECH K.K. (JP) 2005-01-20 US disclosed
US-6809065-B2 ON ALGAE OR WEEDS; CROP SELECTIVITY SDS BIOTECH K.K. (JP) 2004-10-26 US disclosed
EP-1464642-A1 NOVEL SUBSTITUTED PYRAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND HERBICIDAL COMPOSITION CONTAINING THE SAME SDS Biotech K.K. (JP) 2004-10-06 EP disclosed
EP-1407667-A1 HERBICIDE CONTAINING SUBSTITUTED PYRAZOLE DERIVATIVE AS ACTIVE INGREDIENT SDS Biotech K.K. (JP) 2004-04-14 EP disclosed
US-20040033898-A1 Herbicide containing substituted pyrazole derivative as active ingredient SDS BIOTECH K.K. (JP) 2004-02-19 US disclosed
EP-0945437-A1 Pyrazolyl acrylic acid- and pyrazolyl oximino-acetic acid derivatives, their preparation and their use as fungicides SDS Biotech K.K. (JP) 1999-09-29 EP 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-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 FFAR1 3411/4885MAOB 3730/4885PLAU 4417/4885
US-20050014649-A1 Novel substituted pyrazole derivative, process for producing the same, and herbicidal composition containing the same HPD, HDHD5, CYP2E1 FFAR1 2888/4885MAOB 2752/4885PLAU 4800/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 FFAR1 2357/4885MAOB 4351/4885PLAU 4833/4885
US-20040033898-A1 Herbicide containing substituted pyrazole derivative as active ingredient DDT, SULT2A1, CYP2E1 FFAR1 2106/4885MAOB 2829/4885PLAU 4844/4885

“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.