SCHEMBL16637774

SCHEMBL16637774

COc1cnc(N2C(=O)N(C)C(C)C2O)cc1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ HCRTR1 O43613 2/20 0.32
▸ HCRTR2 O43614 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ LRRK2 Q5S007 5/20 0.32
▸ GRM2 Q14416 1/20 0.31
▸ HTR2A P28223 5/20 0.31
▸ HTR2C P28335 3/20 0.31
▸ AR P10275 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ WDR5 P61964 1/20 0.30
▸ HTR2B P41595 1/20 0.30

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
SCHEMBL16637561 0.86 LCAT (0.32) LRRK2AR
SCHEMBL18070192 0.84 AR (0.32) LRRK2AR
SCHEMBL16647382 0.84 PIK3CD (0.31) —
SCHEMBL16647306 0.84 CYP17A1 (0.37) GRM2HTR2AHTR2CARCYP1A2
SCHEMBL16647272 0.84 HDAC3 (0.33) HDAC3HDAC1HDAC2HDAC6HCRTR1
SCHEMBL16647321 0.83 COMT (0.37) LRRK2AR
SCHEMBL16647343 0.83 PIK3CA (0.33) HCRTR1
SCHEMBL16647342 0.81 PIK3CA (0.37) —
SCHEMBL16647287 0.81 CLK2 (0.31) LRRK2AR
SCHEMBL16647341 0.80 CYP11B1 (0.39) CYP1A2WDR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11608323-B2 Herbicidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2023-03-21 — — US disclosed
EP-3054773-B1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2022-01-26 — — EP disclosed
EP-3054773-B1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2022-01-26 — — EP disclosed
CN-111961033-A Herbicidal compounds 先正达参股股份有限公司 2020-11-20 — — CN disclosed
US-20190112288-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-04-18 — — US disclosed
US-20190112288-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-04-18 — — US disclosed
US-20160264547-A1 Herbicidal Compounds SYNGENTA PARTICIPATIONS AG (CH) 2016-09-15 — — US disclosed
US-20160264547-A1 Herbicidal Compounds SYNGENTA PARTICIPATIONS AG (CH) 2016-09-15 — — US disclosed
US-20160264547-A1 Herbicidal Compounds SYNGENTA PARTICIPATIONS AG (CH) 2016-09-15 — — US disclosed
EP-3054773-A1 HERBICIDAL COMPOUNDS Syngenta Participations AG (CH) 2016-08-17 — — EP disclosed
WO-2015052076-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2015-04-16 — — WO disclosed
WO-2015052076-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2015-04-16 — — 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 (3 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-20190112288-A1 HERBICIDAL COMPOUNDS DDT, RDX, CBR3 HDAC3 1739/4885HDAC1 1353/4885HDAC2 2727/4885
US-20160264547-A1 Herbicidal Compounds DDT, RDX, CBR3 HDAC3 1758/4885HDAC1 1451/4885HDAC2 2729/4885
US-11608323-B2 Herbicidal compounds DDT, RDX, CBR3 HDAC3 1739/4885HDAC1 1353/4885HDAC2 2727/4885

“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.

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