SCHEMBL1224747

SCHEMBL1224747

N#CC(C=O)C(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
LMNA P02545 5/20 0.42
CES2 O00748 3/20 0.42
CES1 P23141 3/20 0.42
ALDH1A1 P00352 6/20 0.42
MAPK1 P28482 1/20 0.42
MDM2 Q00987 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 2/20 0.39
ALPG P10696 1/20 0.39
TSHR P16473 4/20 0.38
DAO P14920 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
TP53 P04637 1/20 0.37
ALKBH5 Q6P6C2 1/20 0.37
PGR P06401 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
HTR2A P28223 1/20 0.37

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
SCHEMBL5159831 0.80 ALDH1A1 (0.47) LMNAALDH1A1MAPTCYP3A4NPC1
SCHEMBL23091851 0.75 TDP1 (0.50) TDP1L3MBTL1LMNACES2CES1
SCHEMBL408412 0.75 TDP1 (0.50) TDP1L3MBTL1LMNACES2CES1
SCHEMBL7342834 0.74 LMNA (0.52) TDP1L3MBTL1LMNACES2CES1
SCHEMBL395491 0.74 MDM2 (0.48) TDP1L3MBTL1LMNACES2CES1
SCHEMBL8610227 0.73 SMN1; SMN2 (0.41) LMNAALDH1A1MAPK1MDM2SMN1; SMN2
SCHEMBL9019293 0.73 MDM2 (0.41) TDP1L3MBTL1LMNACES2CES1
SCHEMBL9751959 0.73 POLB (0.49) L3MBTL1LMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL30803096 0.73 CES1 (0.56) TDP1L3MBTL1LMNACES2CES1
SCHEMBL28060783 0.73 TDP1 (0.52) TDP1L3MBTL1LMNACES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748343-B2 Herbicide/safener combintions BAYER CROPSCIENCE AG (DE) 2014-06-10 US disclosed
US-20120322657-A1 HERBICIDE/SAFENER COMBINTIONS ZIEMER FRANK (DE) 2012-12-20 US disclosed
US-20110053778-A1 2-(3-AMINOBENZOYL)-3-CYCLOPROPYL-3-OXOPROPANENITRILES AND THEIR USE AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2011-03-03 US disclosed
WO-2011012248-A2 2-(3-AMINOBENZOYL)-3-CYCLOPROPYL-3-OXOPROPANE NITRILES AND USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2011-02-03 WO disclosed
US-20100305200-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2010-12-02 US disclosed
EP-1296558-B1 HERBICIDAL AGENTS BAYER CROPSCIENCE GMBH (DE) 2006-06-14 EP disclosed
US-20060030485-A1 Herbicide/safener combinations AVENTIS CROPSCIENCE GMBH 2006-02-09 US disclosed
US-20050096228-A1 Herbicidal compositions BAYER CROPSCIENCE AG (DE) 2005-05-05 US disclosed
US-6835695-B2 For controlling harmful plants in crops AVENTIS CROPSCIENCE GMBH (DE) 2004-12-28 US disclosed
EP-1130965-B1 COMBINATIONS OF HERBICIDES AND SAFENERS BAYER CROPSCIENCE GMBH (DE) 2003-10-29 EP disclosed
EP-1296558-A1 HERBICIDAL AGENTS Aventis CropScience GmbH (DE) 2003-04-02 EP disclosed
US-20020137634-A1 Herbicidal Compositions BAYER INTELLECTUAL PROPERTY GMBH (DE) 2002-09-26 US disclosed
WO-2001097614-A1 HERBICIDAL AGENTS BAYER CROPSCIENCE GMBH (DE) 2001-12-27 WO disclosed
US-6297196-B1 HETEROCYCLIC COMPOUNDS WITH KETONE GROUPS AND OXIMES, PHOSPHONATES OR PHOSPHATES HOECHST SCHERING AGREVO GMBH (DE) 2001-10-02 US disclosed
EP-1109807-A1 BENZOYL DERIVATIVES, METHOD FOR PRODUCING THEM AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS Aventis CropScience GmbH (DE) 2001-06-27 EP disclosed
WO-2000014087-A1 BENZOYL DERIVATIVES, METHOD FOR PRODUCING THEM AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS AVENTIS CROPSCIENCE GMBH (DE) 2000-03-16 WO disclosed
US-5550630-A Spectrophotometric method for structural analysis of organic compounds, polymers, nucleotides and peptides THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1996-08-27 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 (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-20120322657-A1 HERBICIDE/SAFENER COMBINTIONS DDT, DERL1, SLC16A7 TDP1 2235/4885L3MBTL1 291/4885LMNA 4284/4885
US-20060030485-A1 Herbicide/safener combinations DDT, DERL1, SLC16A7 TDP1 2399/4885L3MBTL1 246/4885LMNA 4311/4885
US-20020137634-A1 Herbicidal Compositions CBR1, CBR3, CYCS TDP1 1971/4885L3MBTL1 1199/4885LMNA 3269/4885
US-20110053778-A1 2-(3-AMINOBENZOYL)-3-CYCLOPROPYL-3-OXOPROPANENITRILES AND THEIR USE AS HERBICIDES CBR3, DDT, CNPY3 TDP1 1418/4885L3MBTL1 1502/4885LMNA 2555/4885
US-20100305200-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, ATP2A1 TDP1 2959/4885L3MBTL1 3948/4885LMNA 1255/4885
US-20050096228-A1 Herbicidal compositions CBR1, CBR3, CYP1A1 TDP1 2533/4885L3MBTL1 1227/4885LMNA 3113/4885

“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.