SCHEMBL29564174

SCHEMBL29564174

O=C(O)CC[n+]1cc(C(=O)[N-]S(=O)(=O)C2CC2)c2ccccc2n1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ APEX1 P27695 1/20 0.32
▸ PKM P14618 1/20 0.31
▸ PARP1 P09874 1/20 0.30
▸ PARP2 Q9UGN5 1/20 0.30
▸ HDAC6 Q9UBN7 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
SCHEMBL22144264 0.72 KDM4E (0.49) POLBKDM4EPARP1PARP2HDAC6
SCHEMBL22345501 0.65 POLB (0.37) POLBKDM4ERAB9A
SCHEMBL22345500 0.64 KDM4E (0.38) POLBKDM4ERAB9A
SCHEMBL22345504 0.62 NSD2 (0.36) POLBKDM4ERAB9A
SCHEMBL22144129 0.61 POLB (0.33) POLB
SCHEMBL28634474 0.57 HDAC6 (0.46) POLBPARP1PARP2HDAC6
Hydrochloric Acid SCHEMBL22345579 0.56 HDAC6 (0.45) POLBPARP1PARP2HDAC6
SCHEMBL9095253 0.56 KDM4E (0.58) POLBKDM4EPARP1PARP2HDAC6
SCHEMBL22144102 0.55 PRNP (0.42) KDM4EHDAC6
SCHEMBL6467222 0.54 KMO (0.40) POLBKDM4EHDAC6

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 1 patent. 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

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 POLB 721/4885KDM4E 3584/4885RAB9A 2499/4885

“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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