SCHEMBL22345577

SCHEMBL22345577

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ GLA P06280 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ PARP2 Q9UGN5 1/20 0.32
▸ TP53 P04637 1/20 0.31
▸ CYP4F2 P78329 1/20 0.31
▸ CYP4A11 Q02928 1/20 0.31
▸ GPR84 Q9NQS5 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ TSHR P16473 2/20 0.31
▸ PRNP P04156 1/20 0.31
▸ MAPK10 P53779 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ PDE10A Q9Y233 2/20 0.31
▸ HTT P42858 1/20 0.31

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
SCHEMBL28634474 0.87 HDAC6 (0.46) HDAC6PARP1PARP2TSHRPRNP
Hydrochloric Acid SCHEMBL22345579 0.85 HDAC6 (0.45) HDAC6PARP1PARP2TSHRPRNP
Iodide SCHEMBL22345444 0.82 KDM4E (0.46) KDM4EMAPTCYP4F2CYP4A11TSHR
Trifluoroacetic Acid SCHEMBL22345557 0.78 HDAC6 (0.39) HDAC6PARP1PARP2TSHRPRNP
SCHEMBL22345559 0.77 CYP4F2 (0.34) KDM4EMAPTCYP4F2CYP4A11RXFP1
SCHEMBL22345541 0.74 CYP2C9 (0.40) KDM4EMAPTPRNPRXFP1
SCHEMBL22345375 0.74 ACP3 (0.47) —
SCHEMBL5514406 0.72 LOXL2 (0.51) KDM4ENPSR1HTT
SCHEMBL22345481 0.70 TBXAS1 (0.37) KDM4EGLANPSR1
SCHEMBL28623587 0.70 HTT (0.30) HTT

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 HDAC6 2293/4885KDM4E 3584/4885GLA 816/4885

“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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