SCHEMBL21603504

SCHEMBL21603504

Cc1ccc(C(F)(F)F)c(C)c1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
TDP1 Q9NUW8 4/20 0.48
TSHR P16473 6/20 0.43
CYP3A4 P08684 1/20 0.39
ABCC8 Q09428 4/20 0.38
KCNJ11 Q14654 4/20 0.38
EPAS1 Q99814 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
VEGFA P15692 1/20 0.36
PARP1 P09874 1/20 0.35

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
SCHEMBL18300010 0.84 EPAS1 (0.41) ALDH1A1TDP1TSHRABCC8KCNJ11
SCHEMBL27757990 0.82 EPAS1 (0.41) ALDH1A1TDP1TSHRCYP3A4EPAS1
SCHEMBL27645588 0.82 ALDH1A1 (0.46) ALDH1A1TDP1TSHRCYP3A4EPAS1
SCHEMBL2974012 0.81 TDP1 (0.45) ALDH1A1TDP1TSHREPAS1VEGFA
SCHEMBL18298908 0.80 ALDH1A1 (0.39) ALDH1A1TDP1EPAS1SMN1; SMN2
SCHEMBL9550142 0.80 TSHR (0.45) ALDH1A1TDP1TSHRCYP3A4SMN1; SMN2
SCHEMBL27724895 0.78 ALDH1A1 (0.42) ALDH1A1TDP1TSHRCYP3A4EPAS1
SCHEMBL3520821 0.78 ALDH1A1 (0.64) ALDH1A1TDP1TSHRCYP3A4EPAS1
SCHEMBL2612649 0.78 GRIN2D (0.42) ALDH1A1TDP1TSHRCYP3A4ABCC8
SCHEMBL3192684 0.78 ALDH1A1 (0.62) ALDH1A1TDP1TSHRCYP3A4SMN1; SMN2

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 ALDH1A1 3839/4885TDP1 83/4885TSHR 4632/4885

“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.