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SCHEMBL273197

SCHEMBL273197

CC(CC(C)(C)C)c1ccccc1NC(=O)c1cn(C)nc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ NTRK1 P04629 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ STING1 Q86WV6 1/20 0.43
▸ GAA P10253 1/20 0.40
▸ IRAK4 Q9NWZ3 8/20 0.40
▸ DHODH Q02127 2/20 0.38
▸ DGAT1 O75907 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
SCHEMBL13295630 0.91 LMNA (0.49) LMNAPOLBNTRK1ATMSTING1
SCHEMBL9261509 0.89 LMNA (0.54) LMNAPOLBNTRK1ATMSTING1
SCHEMBL3177328 0.88 LMNA (0.53) LMNAPOLBNTRK1ATMSTING1
SCHEMBL4564661 0.88 LMNA (0.39) LMNAPOLBNTRK1ATMDHODH
SCHEMBL9262427 0.88 LMNA (0.57) LMNAPOLBNTRK1ATMSTING1
SCHEMBL13295653 0.86 ATM (0.44) LMNAPOLBNTRK1ATMGAA
SCHEMBL273097 0.86 ATM (0.60) LMNANTRK1ATMGAA
SCHEMBL10238267 0.86 ATM (0.46) LMNAPOLBATMGAAIRAK4
SCHEMBL274896 0.85 ATM (0.43) ATMIRAK4DHODH
SCHEMBL13295595 0.85 ATM (0.45) LMNAPOLBNTRK1ATMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104170838-A ACTIVE SUBSTANCE COMBINATIONS BAYER CROPSCIENCE AG 2014-12-03 — — CN claimed
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-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-2005122770-A2 PROTECTANT FOR CONTROLLING PHYTOPATHOGENIC FUNGI BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-12-29 — — 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 3752/4885POLB 3094/4885NTRK1 3997/4885
US-20080269263-A1 Synergistic Fungidical Active Substance Combinations ERG28, MANBA, MAN2A1 LMNA 2739/4885POLB 4719/4885NTRK1 4526/4885
US-20100016339-A1 FUNGICIDAL COMPOUNDS AND COMPOSITIONS CYP4F3, CBR3, CYP4B1 LMNA 3060/4885POLB 3821/4885NTRK1 4673/4885
US-20090105311-A1 Carboxamides NAAA, CBR3, CNR1 LMNA 2376/4885POLB 2785/4885NTRK1 3426/4885
US-20140213557-A1 Active Compound Combinations AGXT, GLUL, GMNN LMNA 3752/4885POLB 3094/4885NTRK1 3997/4885
US-20090286681-A1 Synergistic Fungicidal Active Compounde Combinations Containing a Carboxamide, an Azole, a Second Azole or a Strobilurin MGAM, SUCLG1, MGAM2 LMNA 4144/4885POLB 3800/4885NTRK1 3913/4885
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 3523/4885POLB 4233/4885NTRK1 3203/4885

“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.