SCHEMBL18797100

SCHEMBL18797100

COc1c(C)nn(C)c(=O)c1-c1ccc(F)c2ccoc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.34
▸ CYP1A1 P04798 2/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ CYP1B1 Q16678 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MAPT P10636 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ PGR P06401 1/20 0.32
▸ NR3C2 P08235 1/20 0.32
▸ MAPK13 O15264 4/20 0.31
▸ MAPK12 P53778 4/20 0.31

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
SCHEMBL18797089 0.84 CCNT1 (0.32) MAPTPGRNR3C2CCNT1CCNE1
SCHEMBL12906309 0.70 CDK8 (0.42) CYP1A2KDM4EALDH1A1CYP2C19SMN1; SMN2
SCHEMBL513464 0.68 ESRRA (0.36) POLBALDH1A1SMN1; SMN2MAPT
SCHEMBL469899 0.67 GSK3B (0.46) CYP3A4CYP1A2HPGDPOLBKDM4E
SCHEMBL20695057 0.66 POLB (0.33) POLBALDH1A1SMN1; SMN2MAPT
SCHEMBL15353202 0.66 SIRT2 (0.46) CYP3A4CYP1A2ALDH1A1CYP2D6CYP2C19
SCHEMBL1679935 0.65 CSF1R (0.35) POLBKDM4EALDH1A1MAPT
SCHEMBL18797608 0.64 CDK8 (0.40) HPGDALDH1A1SMN1; SMN2MAPT
SCHEMBL469883 0.63 NPC1 (0.35) CYP3A4CYP1A2HPGDPOLBKDM4E
SCHEMBL24715944 0.62 ALDH1A1 (0.50) CYP3A4CYP1A1CYP1A2HPGDCYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3368523-B1 NOVEL PYRIDAZINONE HERBICIDES FMC CORP (US) 2021-07-14 — — EP disclosed
CN-108495849-B Pyridazinone herbicides FMC公司 2020-11-10 — — CN disclosed
US-10750743-B2 Pyridazinone herbicides FMC CORPORATION (US) 2020-08-25 — — US disclosed
US-20180332851-A1 NOVEL PYRIDAZINONE HERBICIDES FMC CORPORATION 2018-11-22 — — US disclosed
EP-3368523-A1 NOVEL PYRDAZINONE HERBICIDES E. I. du Pont de Nemours and Company (US) 2018-09-05 — — EP disclosed
WO-2017074992-A1 NOVEL PYRDAZINONE HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2017-05-04 — — 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 (2 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-10750743-B2 Pyridazinone herbicides PRDX4, PRDX6, PDXK CYP3A4 55/4885CYP1A1 19/4885CYP1A2 20/4885
US-20180332851-A1 NOVEL PYRIDAZINONE HERBICIDES PRDX4, PRDX6, PDXK CYP3A4 72/4885CYP1A1 35/4885CYP1A2 30/4885

“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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