SCHEMBL22345472

SCHEMBL22345472

O=C(NS(=O)(=O)C1CC1)c1cnnc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HCRTR1 O43613 1/20 0.39
▸ HCRTR2 O43614 1/20 0.39
▸ SCN9A Q15858 6/20 0.39
▸ SCN2B O60939 3/20 0.39
▸ SCN1B Q07699 3/20 0.39
▸ TRPM4 Q8TD43 1/20 0.39
▸ CCR3 P51677 3/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ SCN5A Q14524 2/20 0.38
▸ PTGER4 P35408 1/20 0.37
▸ CCR1 P32246 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ AURKA O14965 1/20 0.36
▸ TPX2 Q9ULW0 1/20 0.36
▸ RBP4 P02753 1/20 0.36
▸ SCN1A P35498 1/20 0.36

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 0.81 MYC (0.43) HDAC3HDAC1HCRTR1HCRTR2SCN9A
SCHEMBL22345590 0.80 CCR1 (0.43) HDAC3HDAC1HCRTR1HCRTR2SCN9A
SCHEMBL10738732 0.75 HDAC8 (0.47) HDAC3HDAC1HCRTR1HCRTR2CCR3
SCHEMBL8572511 0.74 CCR1 (0.50) HDAC3HDAC1HCRTR1HCRTR2CCR1
SCHEMBL2008976 0.72 HCRTR1 (0.45) HDAC3HDAC1HCRTR1HCRTR2CCR3
SCHEMBL24400252 0.71 HDAC3 (0.49) HDAC3HDAC1HCRTR1HCRTR2CCR3
SCHEMBL335334 0.70 KDM4E (0.50) HCRTR1HCRTR2RAB9A
SCHEMBL30798875 0.70 KDM4E (0.50) HCRTR1HCRTR2RAB9A
SCHEMBL16759704 0.70 HPGD (0.58) SCN9ASCN5AMAPTRBP4
SCHEMBL17469544 0.70 NPC1 (0.53) SCN9ASCN2BSCN1BSCN5AAURKA

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 4 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
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 HDAC3 3856/4885HDAC1 2441/4885HCRTR1 2479/4885

“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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