SCHEMBL16019397

SCHEMBL16019397

CC(C)(C)C(C)(C)c1cccn(-c2cccc(F)c2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 2/20 0.42
FAAH O00519 1/20 0.41
MGLL Q99685 1/20 0.41
POLB P06746 2/20 0.40
THRB P10828 1/20 0.40
KMT2A Q03164 2/20 0.37
DHODH Q02127 1/20 0.37
METAP2 P50579 1/20 0.37
MEN1 O00255 1/20 0.37
MPI P34949 1/20 0.37
NOTUM Q6P988 1/20 0.36
MAPK1 P28482 1/20 0.36
MAPK14 Q16539 1/20 0.36
MAPKAPK5 Q8IW41 1/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
MIF P14174 1/20 0.35
ABL1 P00519 1/20 0.35
MET P08581 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
SCHEMBL16019392 0.84 THRB (0.40) MGLLPOLBTHRBKMT2AMEN1
SCHEMBL16019401 0.83 HTT (0.47) ALDH1A1MPINOTUMMAPTABL1
SCHEMBL16019404 0.83 MGLL (0.45) ALDH1A1MGLLPOLBKMT2AMEN1
SCHEMBL16019389 0.80 NSD2 (0.42) NOTUM
SCHEMBL16019396 0.79 ALDH1A1 (0.53) ALDH1A1POLBKMT2AMEN1MAPK1
SCHEMBL16812361 0.74 POLB (0.47) L3MBTL1ALDH1A1FAAHMGLLPOLB
SCHEMBL20687683 0.74 TYK2 (0.44) L3MBTL1ALDH1A1FAAHMGLLPOLB
SCHEMBL8137135 0.71 KEAP1 (0.49) L3MBTL1ALDH1A1FAAHMGLLPOLB
SCHEMBL1260057 0.71 FAAH (0.46) L3MBTL1ALDH1A1FAAHMGLLPOLB
SCHEMBL20687711 0.70 L3MBTL1 (0.41) L3MBTL1ALDH1A1FAAHMGLLPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9693556-B2 Herbicidal pyridazinone derivatives SYNGENTA LIMITED (GB) 2017-07-04 US disclosed
US-9693556-B2 Herbicidal pyridazinone derivatives SYNGENTA LIMITED (GB) 2017-07-04 US disclosed
US-20140256546-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES SYNGENTA LIMITED (GB) 2014-09-11 US disclosed
US-20140256546-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES SYNGENTA LIMITED (GB) 2014-09-11 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-20140256546-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES PRDX6, PRDX1, CBR3 L3MBTL1 3175/4885ALDH1A1 861/4885FAAH 4245/4885

“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.