SCHEMBL24853555

SCHEMBL24853555

COc1cc(Br)cc2cnn(CCCC(F)(F)F)c12

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ PRNP P04156 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ HTR2A P28223 1/20 0.30
▸ HTR2C P28335 1/20 0.30
▸ PDE10A Q9Y233 1/20 0.30
▸ NQO2 P16083 2/20 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
SCHEMBL23370325 0.81 — —
SCHEMBL23370338 0.80 ADORA2A (0.40) ALDH1A1HTR2AHTR2C
SCHEMBL23370326 0.70 ADORA2A (0.35) ALDH1A1
SCHEMBL24853566 0.70 HTR2A (0.35) CASRHTR2AHTR2C
SCHEMBL15910570 0.67 CYP17A1 (0.39) ALDH1A1
SCHEMBL23370339 0.64 HTR2A (0.35) HTR2AHTR2C
SCHEMBL23370317 0.63 HASPIN (0.41) ALDH1A1MAPTNQO2
SCHEMBL8511080 0.62 GRM2 (0.41) ALDH1A1MAPT
SCHEMBL30498313 0.62 USP1 (0.33) ALDH1A1HTR2AHTR2C
SCHEMBL27199593 0.62 USP1 (0.33) ALDH1A1

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 CASR 3442/4885ALDH1A1 481/4885PRNP 4359/4885

“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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