SCHEMBL26163608

SCHEMBL26163608

CCC(=O)Oc1c(Cl)nn(C)c(=O)c1-c1c(C)ccc2ccc(C)cc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.35
▸ HPGD P15428 4/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ CASP1 P29466 2/20 0.35
▸ CASP7 P55210 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SMN1; SMN2 Q16637 5/20 0.33
▸ ACHE P22303 2/20 0.33
▸ PIK3CD O00329 1/20 0.32
▸ MMP1 P03956 1/20 0.32
▸ MMP9 P14780 1/20 0.32
▸ MMP8 P22894 1/20 0.32
▸ LMNA P02545 5/20 0.32
▸ NR1I2 O75469 1/20 0.31
▸ AHR P35869 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
SCHEMBL26163609 0.89 SMN1; SMN2 (0.40) ALDH1A1HPGDKDM4EKMT2ASMN1; SMN2
SCHEMBL21835493 0.84 NPBWR1 (0.35) ALDH1A1HPGDKMT2AMAPK1SMN1; SMN2
SCHEMBL29386231 0.84 NPBWR1 (0.35) ALDH1A1HPGDKMT2AMAPK1SMN1; SMN2
SCHEMBL29058598 0.83 LMNA (0.32) ALDH1A1HPGDKDM4ECASP1CASP7
SCHEMBL29443524 0.79 MEN1 (0.33) ALDH1A1HPGDKDM4ECASP1CASP7
SCHEMBL21835397 0.79 MEN1 (0.33) ALDH1A1HPGDKDM4ECASP1CASP7
SCHEMBL23901770 0.78 SMN1; SMN2 (0.38) ALDH1A1KDM4EKMT2ASMN1; SMN2LMNA
SCHEMBL29058622 0.74 ALDH1A1 (0.36) ALDH1A1HPGDKMT2AMAPK1SMN1; SMN2
SCHEMBL29761331 0.73 MMP1 (0.34) ALDH1A1HPGDKDM4ECASP1CASP7
SCHEMBL29761328 0.72 POLB (0.35) KMT2AGAASMN1; SMN2LMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230150945-A1 ATROPISOMERS OF PYRIDAZINONE DERIVATIVES AS HERBICIDES FMC CORPORATION 2023-05-18 — — US disclosed
US-20230150945-A1 ATROPISOMERS OF PYRIDAZINONE DERIVATIVES AS HERBICIDES FMC CORPORATION 2023-05-18 — — 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-20230150945-A1 ATROPISOMERS OF PYRIDAZINONE DERIVATIVES AS HERBICIDES CYP1B1, CHRM2, CYP1A1 ALDH1A1 488/4885HPGD 390/4885KDM4E 3446/4885

“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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