SCHEMBL16019368

SCHEMBL16019368

COc1cccn(C(C)(C)C)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.42
GAA P10253 1/20 0.40
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA7 P43166 3/20 0.39
CA9 Q16790 3/20 0.39
CA12 O43570 2/20 0.39
CA14 Q9ULX7 2/20 0.39
CA4 P22748 1/20 0.39
METAP2 P50579 1/20 0.38
LMNA P02545 2/20 0.38
DAO P14920 1/20 0.37
MAPT P10636 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP2C9 P11712 1/20 0.35
POLB P06746 1/20 0.35
ALOX15 P16050 1/20 0.35
RECQL P46063 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL1156104 0.74 MAPT (0.50) MGLLGAACA1CA2CA7
SCHEMBL9962267 0.72 CA2 (0.37) CA2MAPTL3MBTL1ALDH1A1
SCHEMBL7057646 0.72 CA1 (0.42) MGLLGAACA1CA2CA7
SCHEMBL13036905 0.72 HDAC4 (0.41) GAACA1CA2CA9METAP2
SCHEMBL12563132 0.72 MEN1 (0.35) MGLLLMNAMAPTMEN1KMT2A
SCHEMBL7261814 0.72 PTGER3 (0.33) MGLLGAAMETAP2LMNADAO
SCHEMBL22210774 0.72 ALDH1A1 (0.47) CA1CA2CA9LMNAMAPT
SCHEMBL21720151 0.71 GAA (0.30) GAA
SCHEMBL16019361 0.70 MAPT (0.64) MGLLGAALMNAMAPTCYP2C9
SCHEMBL25042596 0.69 FAAH (0.42) MGLLCA1CA2LMNADAO

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 3 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

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 MGLL 3816/4885GAA 2637/4885CA1 1896/4885

“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.