SCHEMBL13295653

SCHEMBL13295653

CC(F)c1nn(C)cc1C(=O)Nc1ccccc1C(C)CC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
DHODH Q02127 8/20 0.39
MAPT P10636 1/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 2/20 0.36
IRAK4 Q9NWZ3 2/20 0.35
POLB P06746 1/20 0.35
NTRK1 P04629 1/20 0.35

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
SCHEMBL274896 0.95 ATM (0.43) ATMDHODHIRAK4
SCHEMBL6013470 0.90 ATM (0.43) ATMDHODHMAPTLMNAGAA
SCHEMBL13304626 0.87 ATM (0.46) ATMDHODHMAPTLMNAGAA
SCHEMBL10238267 0.87 ATM (0.46) ATMDHODHMAPTLMNAGAA
SCHEMBL273097 0.87 ATM (0.60) ATMMAPTLMNAGAANTRK1
SCHEMBL273197 0.86 LMNA (0.52) ATMDHODHLMNAGAAIRAK4
SCHEMBL13295595 0.86 ATM (0.45) ATMDHODHLMNAGAAKMT2A
SCHEMBL14176574 0.81 DHODH (0.38) ATMDHODHMAPTLMNAGAA
SCHEMBL27706695 0.81 ATM (0.42) ATMLMNAGAAKMT2AIRAK4
SCHEMBL273301 0.81 ATM (0.45) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678142-B1 HEXYL CARBOXANILIDES AND THEIR USE FOR CONTROLLING UNDESIRABLE MICRO-ORGANISMS BAYER CROPSCIENCE AG (DE) 2014-10-01 EP disclosed
US-7732375-B2 Hexyl carboxanilides and their use for controlling fungi BAYER CROPSCIENCE AG (DE) 2010-06-08 US disclosed
US-7732375-B2 Hexyl carboxanilides and their use for controlling fungi BAYER CROPSCIENCE AG (DE) 2010-06-08 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-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 ATM 4743/4885DHODH 1409/4885MAPT 3137/4885

“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.