SCHEMBL24853772

SCHEMBL24853772

CC(C)CCn1nc(Cl)c2cccc(Oc3ncc(Cl)cn3)c21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ RXRA P19793 2/20 0.31
▸ GRIN1 Q05586 2/20 0.31
▸ GRIN2B Q13224 2/20 0.31
▸ KEAP1 Q14145 1/20 0.31
▸ NFE2L2 Q16236 1/20 0.31
▸ TLR9 Q9NR96 1/20 0.31
▸ RET P07949 1/20 0.31
▸ HTR2A P28223 1/20 0.30
▸ HTR2C P28335 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
SCHEMBL24853735 0.88 CYP1A2 (0.36) CYP1A2CYP3A4CYP2C19CYP2D6L3MBTL1
SCHEMBL24854022 0.87 ESR1 (0.39) CYP1A2CYP3A4CYP2C19CYP2D6L3MBTL1
SCHEMBL24853761 0.86 CYP1A2 (0.34) CYP1A2CYP3A4CYP2C19CYP2D6L3MBTL1
SCHEMBL24854064 0.85 MPO (0.37) CYP1A2CYP3A4CYP2C19CYP2D6L3MBTL1
SCHEMBL24853776 0.84 CYP1A2 (0.31) CYP1A2CYP3A4CYP2C19CYP2D6L3MBTL1
SCHEMBL24854520 0.84 ESR1 (0.38) CYP1A2CYP3A4CYP2C19CYP2D6L3MBTL1
SCHEMBL24853577 0.83 ESR1 (0.37) CYP1A2CYP3A4CYP2C19CYP2D6L3MBTL1
SCHEMBL24854032 0.83 CYP1A2 (0.34) CYP1A2CYP3A4CYP2C19CYP2D6L3MBTL1
SCHEMBL24854537 0.82 CYP1A2 (0.34) CYP1A2CYP3A4CYP2C19CYP2D6L3MBTL1
SCHEMBL24853575 0.81 CYP1A2 (0.33) CYP1A2CYP3A4CYP2C19CYP2D6L3MBTL1

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-20230002357-A1 7-PYRIMIDINE-2-YL-OXY-INDAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION AG (CH) 2023-01-05 — — 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-20230002357-A1 7-PYRIMIDINE-2-YL-OXY-INDAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES AZI2, PDXK, DPYD CYP1A2 30/4885CYP3A4 856/4885CYP2C19 290/4885

“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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