SCHEMBL22926401

SCHEMBL22926401

N#COc1ccc(F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.44
HSPB1 P04792 4/20 0.39
ALDH1A1 P00352 1/20 0.38
TRPA1 O75762 5/20 0.38
IDO1 P14902 2/20 0.35
AGXT P21549 2/20 0.35
SLC22A12 Q96S37 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34

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
SCHEMBL28879083 0.83 CA3 (0.38) ARALDH1A1IDO1AGXTSLC22A12
SCHEMBL26420008 0.79 SLC6A4 (0.43) ALDH1A1SLC22A12
SCHEMBL19502105 0.79 GAA (0.39) ARALDH1A1
SCHEMBL98913 0.78 HSPB1 (0.42) ARHSPB1ALDH1A1TRPA1CES2
SCHEMBL22926431 0.78 AR (0.48) ARALDH1A1IDO1
SCHEMBL27532586 0.77 ALDH1A1 (0.41) ARHSPB1ALDH1A1TRPA1IDO1
SCHEMBL14703718 0.77 L3MBTL1 (0.38) ALDH1A1
SCHEMBL8961762 0.75 ESR1 (0.33) AR
SCHEMBL10456772 0.74 TRPA1 (0.56) ARHSPB1ALDH1A1TRPA1
SCHEMBL2829572 0.71 AR (0.42) ARHSPB1TRPA1

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-20210022340-A1 USE OF PYRIDINE UREA COMPOUND HAVING SNAIL-KILLING ACTIVITY THE NATIONAL INSTITUTE OF PARASITIC DISEASES, CHINESE CENTER FOR DISEASE CONTROL AND PREVENTION (CN) 2021-01-28 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-20210022340-A1 USE OF PYRIDINE UREA COMPOUND HAVING SNAIL-KILLING ACTIVITY SLC14A1, UACA, UROD AR 4809/4885HSPB1 4229/4885ALDH1A1 624/4885

“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.