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SCHEMBL272690

SCHEMBL272690

CC(CC(C)(C)C)c1ccccc1NC(=O)c1c(C(F)(F)F)nn(C)c1Cl

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.55
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ CYP1A2 P05177 5/20 0.53
▸ CYP2C19 P33261 5/20 0.53
▸ CYP3A4 P08684 4/20 0.53
▸ CYP2C9 P11712 4/20 0.53
▸ ALDH1A1 P00352 3/20 0.51
▸ POLB P06746 1/20 0.51
▸ NTRK1 P04629 1/20 0.43
▸ NPSR1 Q6W5P4 5/20 0.40
▸ MAPT P10636 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38

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
SCHEMBL273823 0.89 LMNA (0.56) LMNAMEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL272849 0.89 LMNA (0.44) LMNAMEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL12263882 0.87 ALDH1A1 (0.48) LMNASMN1; SMN2CYP1A2CYP2C19CYP2C9
SCHEMBL13295592 0.85 LMNA (0.38) LMNAMEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL14209157 0.81 LMNA (0.42) LMNAMEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL273197 0.81 LMNA (0.52) LMNAPOLBNTRK1GAA
SCHEMBL29392856 0.78 PKM (0.39) LMNAMEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL14364835 0.78 PKM (0.39) LMNAMEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL169663 0.78 PKM (0.39) LMNAMEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL14364834 0.78 PKM (0.39) LMNAMEN1KMT2ASMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140213557-A1 Active Compound Combinations BAYER CROPSCIENCE AG (DE) 2014-07-31 — — US claimed
CN-101212899-B Carboxamides BAYER CROPSCIENCE AG 2012-11-21 — — CN claimed
US-20110152097-A1 Active Compound Combinations BAYER CROPSCIENCE AG (DE) 2011-06-23 — — US claimed
EP-2255651-A2 Agent combinations Bayer CropScience AG (DE) 2010-12-01 — — EP claimed
EP-2255644-A2 Agent combinations Bayer CropScience AG (DE) 2010-12-01 — — EP claimed
US-20100016339-A1 FUNGICIDAL COMPOUNDS AND COMPOSITIONS SYNGENTA CROP PROTECTION, INC. (US) 2010-01-21 — — US claimed
EP-2132989-A2 Agent combinations Bayer CropScience AG (DE) 2009-12-16 — — EP claimed
US-20090286681-A1 Synergistic Fungicidal Active Compounde Combinations Containing a Carboxamide, an Azole, a Second Azole or a Strobilurin BAYER CROPSCIENCE AG (DE) 2009-11-19 — — US claimed
US-20090105311-A1 Carboxamides BAYER CROPSCIENCE AG (DE) 2009-04-23 — — US claimed
US-20080269263-A1 Synergistic Fungidical Active Substance Combinations BAYER CROPSCIENCE AG (DE) 2008-10-30 — — US claimed
EP-1890540-A2 CARBOXAMIDES Bayer CropScience AG (DE) 2008-02-27 — — EP claimed
WO-2006131221-A2 CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2006-12-14 — — WO claimed
US-9717247-B2 Synergistic fungicidal active combinations BAYER CROPSCIENCE AG (DE) 2017-08-01 — — US disclosed
EP-2129223-B1 FUNGICIDAL COMPOSITIONS COMPRISING A CARBOXAMIDE DERIVATIVE, CYPRODINIL AND AN UNSATURATED FATTY ACID SYNGENTA PARTICIPATIONS AG (CH) 2016-12-14 — — EP disclosed
US-9414600-B2 Active compound combinations BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-08-16 — — US disclosed
US-9414600-B2 Active compound combinations BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-08-16 — — US disclosed
US-20070037858-A1 anilide fungicides such as 1,3,5-trimethyl-N-[2-(1,3,3-trimethylbutyl)phenyl]-1H-pyrazole-4-carboxamide, used for controlling unwanted microorganisms BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-02-15 — — US disclosed
US-20070037858-A1 anilide fungicides such as 1,3,5-trimethyl-N-[2-(1,3,3-trimethylbutyl)phenyl]-1H-pyrazole-4-carboxamide, used for controlling unwanted microorganisms BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-02-15 — — US disclosed
WO-2006131230-A2 ACTIVE SUBSTANCE COMBINATIONS BAYER CROPSCIENCE AG (DE) 2006-12-14 — — WO disclosed
WO-2006114212-A2 COMBINATIONS OF PESTICIDAL ACTIVE SUBSTANCE COMBINATIONS BAYER CROPSCIENCE AG (DE) 2006-11-02 — — WO 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 (7 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 LMNA 3752/4885MEN1 2774/4885KMT2A 263/4885
US-20080269263-A1 Synergistic Fungidical Active Substance Combinations ERG28, MANBA, MAN2A1 LMNA 2739/4885MEN1 353/4885KMT2A 2162/4885
US-20100016339-A1 FUNGICIDAL COMPOUNDS AND COMPOSITIONS CYP4F3, CBR3, CYP4B1 LMNA 3060/4885MEN1 1131/4885KMT2A 970/4885
US-20090105311-A1 Carboxamides NAAA, CBR3, CNR1 LMNA 2376/4885MEN1 1734/4885KMT2A 51/4885
US-20140213557-A1 Active Compound Combinations AGXT, GLUL, GMNN LMNA 3752/4885MEN1 2774/4885KMT2A 263/4885
US-20090286681-A1 Synergistic Fungicidal Active Compounde Combinations Containing a Carboxamide, an Azole, a Second Azole or a Strobilurin MGAM, SUCLG1, MGAM2 LMNA 4144/4885MEN1 1468/4885KMT2A 428/4885
US-20070037858-A1 anilide fungicides such as 1,3,5-trimethyl-N-[2-(1,3,3-trimethylbutyl)phenyl]-1H-pyrazole-4-carboxamide, used for controlling unwanted microorganisms CYP51A1, CYP1A1, CYP1B1 LMNA 3523/4885MEN1 2486/4885KMT2A 813/4885

“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.