SCHEMBL20094072

SCHEMBL20094072

CCC(C)(CC)c1ccnc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.41
LOX P28300 1/20 0.41
LOXL3 P58215 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
PRKCQ Q04759 4/20 0.38
TRPA1 O75762 1/20 0.34
AR P10275 1/20 0.33
SMARCA2 P51531 1/20 0.33
SMARCA4 P51532 1/20 0.33
AAK1 Q2M2I8 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
IDO1 P14902 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 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
SCHEMBL12695292 0.86 RECQL (0.42) RECQLLOXLOXL3LOXL2TRPA1
SCHEMBL29828496 0.81 RECQL (0.43) RECQLLOXLOXL3LOXL2TRPA1
SCHEMBL30587543 0.81 RECQL (0.43) RECQLLOXLOXL3LOXL2TRPA1
SCHEMBL23364969 0.81 RECQL (0.43) RECQLLOXLOXL3LOXL2TRPA1
SCHEMBL15391353 0.81 RECQL (0.43) RECQLLOXLOXL3LOXL2TRPA1
SCHEMBL30770644 0.81 LOX (0.34) RECQLLOXLOXL3LOXL2PRKCQ
SCHEMBL20709031 0.80 CCR1 (0.41) PRKCQ
SCHEMBL803495 0.79 RECQL (0.42) RECQLLOXLOXL3LOXL2TRPA1
SCHEMBL31411143 0.79 RECQL (0.42) RECQLLOXLOXL3LOXL2TRPA1
SCHEMBL15689789 0.79 RECQL (0.44) RECQLLOXLOXL3LOXL2TRPA1

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-11330821-B2 Herbicidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2022-05-17 US disclosed
EP-3439477-B1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2020-05-06 EP disclosed
US-20180116219-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-05-03 US disclosed
US-20180110227-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-04-26 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 (3 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-11330821-B2 Herbicidal compounds DDT, HPD, HDHD5 RECQL 1061/4885LOX 238/4885LOXL3 191/4885
US-20180116219-A1 HERBICIDAL COMPOUNDS DDT, HPD, HDHD5 RECQL 1061/4885LOX 238/4885LOXL3 191/4885
US-20180110227-A1 HERBICIDAL COMPOUNDS DDT, HPD, HDHD5 RECQL 1324/4885LOX 800/4885LOXL3 687/4885

“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.