SCHEMBL21603337

SCHEMBL21603337

C=C(C)c1c(N)c(C)cc(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA4 P22748 2/20 0.32

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
SCHEMBL19507326 0.81 CA1 (0.32) CA1CA2CA4
SCHEMBL22014631 0.76
SCHEMBL7908206 0.72 ALDH1A1 (0.43) POLBALDH1A1TP53CYP3A4TSHR
SCHEMBL31569104 0.72 CYP3A4 (0.43) POLBALDH1A1TP53CYP3A4TSHR
SCHEMBL21603437 0.71 CYP3A4 (0.39) POLBALDH1A1TP53CYP3A4TSHR
SCHEMBL21603389 0.70 ALDH1A1 (0.42) POLBALDH1A1TP53CYP3A4TSHR
SCHEMBL29824949 0.70 ALDH1A1 (0.42) POLBALDH1A1TP53CYP3A4TSHR
SCHEMBL19475225 0.68
SCHEMBL23029213 0.68 ADORA2B (0.40)
SCHEMBL21852776 0.68 CYP3A4 (0.38) POLBALDH1A1TP53CYP3A4TSHR

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-20210130352-A1 OGA INHIBITOR COMPOUNDS JANSSEN-CILAG S.A. (ES) 2021-05-06 US disclosed
WO-2019243533-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO 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-20210130352-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN POLB 402/4885ALDH1A1 3839/4885TP53 787/4885

“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.