SCHEMBL22345590

SCHEMBL22345590

CNS(=O)(=O)NC(=O)c1cnnc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.43
▸ HDAC3 O15379 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ NTRK1 P04629 1/20 0.40
▸ HCRTR1 O43613 1/20 0.39
▸ HCRTR2 O43614 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CCR3 P51677 3/20 0.35
▸ HRH1 P35367 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ HTT P42858 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ PLK1 P53350 1/20 0.34

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
SCHEMBL22345385 0.87 MYC (0.43) CCR1HDAC3HDAC1MAPTATM
SCHEMBL8572511 0.83 CCR1 (0.50) CCR1HDAC3HDAC1MAPTATM
SCHEMBL22345472 0.80 HDAC3 (0.40) CCR1HDAC3HDAC1MAPTATM
SCHEMBL10738732 0.79 HDAC8 (0.47) CCR1HDAC3HDAC1MAPTATM
SCHEMBL24400252 0.77 HDAC3 (0.49) CCR1HDAC3HDAC1MAPTATM
SCHEMBL28923016 0.76 KMT2A (0.36) L3MBTL1KMT2AMEN1HTTALDH1A1
Iodide SCHEMBL22345512 0.75 KMT2A (0.35) L3MBTL1KMT2AMEN1HTTKDM4E
SCHEMBL2008976 0.75 HCRTR1 (0.45) CCR1HDAC3HDAC1MAPTATM
SCHEMBL8237140 0.75 HCRTR1 (0.45) CCR1HDAC3HDAC1MAPTATM
SCHEMBL10272751 0.74 HDAC3 (0.56) CCR1HDAC3HDAC1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220132847-A1 CINNOLINIUM COMPOUNDS FOR USE IN A METHOD OF CONTROLLING UNWANTED PLANT GROWTH SYNGENTA CROP PROTECTION AG (CH) 2022-05-05 — — US disclosed
US-20220132847-A1 CINNOLINIUM COMPOUNDS FOR USE IN A METHOD OF CONTROLLING UNWANTED PLANT GROWTH SYNGENTA CROP PROTECTION AG (CH) 2022-05-05 — — US disclosed
EP-3924344-A1 CINNOLINIUM COMPOUNDS FOR USE IN A METHOD OF CONTROLLING UNWANTED PLANT GROWTH Syngenta Crop Protection AG (CH) 2021-12-22 — — EP disclosed
CN-113423694-A Cinnolinium compounds for use in a method for controlling unwanted plant growth 先正达农作物保护股份公司 2021-09-21 — — CN disclosed
WO-2020164970-A1 CINNOLINIUM COMPOUNDS FOR USE IN A METHOD OF CONTROLLING UNWANTED PLANT GROWTH SYNGENTA CROP PROTECTION AG (CH) 2020-08-20 — — 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 (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-20220132847-A1 CINNOLINIUM COMPOUNDS FOR USE IN A METHOD OF CONTROLLING UNWANTED PLANT GROWTH NOTUM, DDT, CYP51A1 CCR1 2143/4885HDAC3 3856/4885HDAC1 2441/4885

“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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