SCHEMBL273301

SCHEMBL273301

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

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
DHODH Q02127 2/20 0.42
IRAK4 Q9NWZ3 15/20 0.40

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
SCHEMBL13304626 0.94 ATM (0.46) ATMDHODHIRAK4
SCHEMBL3255460 0.89 ATM (0.45) ATMDHODH
SCHEMBL12742817 0.89 ATM (0.41) ATMDHODHIRAK4
SCHEMBL4107508 0.87 ALDH1A1 (0.38) ATMDHODHIRAK4
SCHEMBL274896 0.87 ATM (0.43) ATMDHODHIRAK4
SCHEMBL4447120 0.85 ATM (0.38) ATMDHODHIRAK4
SCHEMBL10238203 0.85 ATM (0.47) ATMDHODH
SCHEMBL272573 0.85 ATM (0.62) ATM
SCHEMBL13304549 0.84 ATM (0.46) ATMDHODHIRAK4
SCHEMBL13057261 0.83 ATM (0.44) ATMDHODHIRAK4

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 144 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
US-20110152097-A1 Active Compound Combinations BAYER CROPSCIENCE AG (DE) 2011-06-23 US claimed
EP-2255644-A2 Agent combinations Bayer CropScience AG (DE) 2010-12-01 EP claimed
EP-2255651-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
EP-2046124-A2 FUNGICIDAL COMPOUNDS AND COMPOSITIONS Syngeta Participations AG (CH) 2009-04-15 EP claimed
US-20080269263-A1 Synergistic Fungidical Active Substance Combinations BAYER CROPSCIENCE AG (DE) 2008-10-30 US claimed
EP-1916894-A1 SYNERGISTIC FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS CONTAINING A CARBOXAMIDE, AN AZOLE, A SECOND AZOLE OR A STROBILURINE Bayer CropScience Aktiengesellschaft (DE) 2008-05-07 EP claimed
EP-1890540-A2 CARBOXAMIDES Bayer CropScience AG (DE) 2008-02-27 EP claimed
WO-2008014955-A2 FUNGICIDAL COMPOUNDS AND COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2008-02-07 WO claimed
WO-2007031141-A1 SYNERGISTIC FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS CONTAINING A CARBOXAMIDE, AN AZOLE, A SECOND AZOLE OR A STROBILURINE BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-03-22 WO claimed
WO-2006131221-A2 CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2006-12-14 WO claimed
CN-111788200-A Imide derivative and fungicide comprising the same as active ingredient 北兴化学工业株式会社 2020-10-16 CN disclosed
US-9717247-B2 Synergistic fungicidal active combinations BAYER CROPSCIENCE AG (DE) 2017-08-01 US disclosed
US-5965774-A CONTROLLING PLANT DISEASES AGAINST BOTRYTIS CINEREA, POWDERY MILDEW, PYRICULARIA ORYZAE OF RICE PLANT MITSUI CHEMICALS, INC. (JP) 1999-10-12 US disclosed
US-5914344-A Substituted carboxanilide derivative and plant disease control agent comprising same as active ingredient MITSUI CHEMICALS, INC. (JP) 1999-06-22 US disclosed
EP-0824099-A1 Substituted carboxanilide derivative and plant disease control agent comprising same as active ingredient MITSUI TOATSU CHEMICALS, Inc. (JP) 1998-02-18 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 (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-20110152097-A1 Active Compound Combinations AGXT, GLUL, GMNN ATM 2130/4885DHODH 709/4885IRAK4 3217/4885
US-20080269263-A1 Synergistic Fungidical Active Substance Combinations ERG28, MANBA, MAN2A1 ATM 3315/4885DHODH 1130/4885IRAK4 2383/4885
US-20100016339-A1 FUNGICIDAL COMPOUNDS AND COMPOSITIONS CYP4F3, CBR3, CYP4B1 ATM 4740/4885DHODH 1272/4885IRAK4 1594/4885
US-20090105311-A1 Carboxamides NAAA, CBR3, CNR1 ATM 3226/4885DHODH 1524/4885IRAK4 2300/4885
US-20140213557-A1 Active Compound Combinations AGXT, GLUL, GMNN ATM 2130/4885DHODH 709/4885IRAK4 3217/4885
US-20090286681-A1 Synergistic Fungicidal Active Compounde Combinations Containing a Carboxamide, an Azole, a Second Azole or a Strobilurin MGAM, SUCLG1, MGAM2 ATM 4681/4885DHODH 653/4885IRAK4 3663/4885

“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.