SCHEMBL22345504

SCHEMBL22345504

O=C(O)C[n+]1cc(C(=O)[O-])c2ccccc2n1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NSD2 O96028 1/20 0.36
▸ KDM4E B2RXH2 5/20 0.36
▸ LMNA P02545 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.36
▸ KMT2A Q03164 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ DHODH Q02127 1/20 0.34
▸ CACNA1B Q00975 1/20 0.34
▸ APBA1 Q02410 1/20 0.34
▸ POLB P06746 2/20 0.33
▸ GLA P06280 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ TACR3 P29371 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
SCHEMBL22345501 0.67 POLB (0.37) KDM4ELMNASMN1; SMN2PDE10AKMT2A
SCHEMBL22345500 0.66 KDM4E (0.38) KDM4ELMNASMN1; SMN2PDE10AKMT2A
SCHEMBL374557 0.66 KDM4E (0.60) KDM4ELMNASMN1; SMN2PDE10AKMT2A
Potassium Ion SCHEMBL93447 0.66 KDM4E (0.60) KDM4ELMNASMN1; SMN2PDE10AKMT2A
SCHEMBL22144264 0.66 KDM4E (0.49) KDM4ESMN1; SMN2KMT2APOLBRXFP1
Water SCHEMBL30525330 0.65 KDM4E (0.58) KDM4ELMNASMN1; SMN2PDE10AKMT2A
Water SCHEMBL31000942 0.65 KDM4E (0.58) KDM4ELMNASMN1; SMN2PDE10AKMT2A
Silver SCHEMBL11469848 0.64 NCF1 (0.46) NSD2LMNASMN1; SMN2KMT2AMEN1
Lithium Ion SCHEMBL29140005 0.64 NCF1 (0.46) NSD2LMNASMN1; SMN2KMT2AMEN1
Iodide SCHEMBL4562777 0.64 KDM4E (0.57) KDM4ELMNASMN1; SMN2PDE10AKMT2A

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 NSD2 3846/4885KDM4E 3584/4885LMNA 3064/4885

“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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