SCHEMBL18528469

SCHEMBL18528469

COc1nn(C)c(=O)c(-c2c(C)c(C)cc3ccccc23)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ NPBWR1 P48145 3/20 0.39
▸ MCHR1 Q99705 1/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KAT2B Q92831 1/20 0.34
▸ BRD9 Q9H8M2 1/20 0.34
▸ BRD7 Q9NPI1 1/20 0.34
▸ BTK Q06187 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ MMP1 P03956 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ MMP8 P22894 1/20 0.33

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
SCHEMBL30576375 1.00 NPC1 (0.40) NPC1RAB9APAX8NPBWR1MCHR1
SCHEMBL30576368 0.87 MMP1 (0.36) NPSR1ALDH1A1MAPTKAT2BBRD9
SCHEMBL18528470 0.87 MMP1 (0.36) NPSR1ALDH1A1MAPTKAT2BBRD9
SCHEMBL21835554 0.86 RAB9A (0.41) NPC1RAB9APAX8NPBWR1MCHR1
SCHEMBL29383170 0.86 RAB9A (0.41) NPC1RAB9APAX8NPBWR1MCHR1
SCHEMBL20522633 0.72 ALDH1A1 (0.41) NPBWR1NPSR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL21835458 0.70 HSD11B1 (0.38) NPC1RAB9ANPBWR1NPSR1ALDH1A1
SCHEMBL29383185 0.70 HSD11B1 (0.38) NPC1RAB9ANPBWR1NPSR1ALDH1A1
SCHEMBL31001028 0.70 CYP1A2 (0.52) RAB9ANPSR1ALDH1A1MAPTHPGD
SCHEMBL21835495 0.69 NPBWR1 (0.41) NPC1RAB9ANPBWR1MCHR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111018790-B Pyridazinone herbicides FMC公司 2023-09-19 — — CN disclosed
EP-3865480-A1 HYDRAZINE DERIVATIVES FMC Corporation (US) 2021-08-18 — — EP disclosed
EP-3137456-B1 PYRIDAZINONE HERBICIDES FMC CORP (US) 2021-06-02 — — EP disclosed
CN-111018790-A Pyridazinone herbicides FMC公司 2020-04-17 — — CN disclosed
US-10597388-B2 Pyridazinone herbicides FMC CORPORATION (US) 2020-03-24 — — US disclosed
CN-106458926-B Pyridazinone herbicides FMC公司 2020-01-03 — — CN disclosed
US-20190016712-A1 PYRIDAZINONE HERBICIDES FMC CORPORATION 2019-01-17 — — US disclosed
US-10118917-B2 Pyridazinone herbicides FMC CORPORATION 2018-11-06 — — US disclosed
US-20170050953-A1 PYRIDAZINONE HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2017-02-23 — — 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 (4 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-20190016712-A1 PYRIDAZINONE HERBICIDES CBR3, NOX5, NR5A2 NPC1 4731/4885RAB9A 3274/4885PAX8 2199/4885
US-20170050953-A1 PYRIDAZINONE HERBICIDES CBR3, NOX5, NR5A2 NPC1 4731/4885RAB9A 3274/4885PAX8 2199/4885
US-10118917-B2 Pyridazinone herbicides CBR3, NOX5, NR5A2 NPC1 4731/4885RAB9A 3274/4885PAX8 2199/4885
US-10597388-B2 Pyridazinone herbicides CBR3, NOX5, NR5A2 NPC1 4731/4885RAB9A 3274/4885PAX8 2199/4885

“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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