SCHEMBL25878362

SCHEMBL25878362

CCOC(=O)c1c(C)cc(C(F)(F)F)nc1CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ADORA3 P0DMS8 4/20 0.44
ALDH1A1 P00352 5/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HPGD P15428 4/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
KDM4E B2RXH2 3/20 0.40
USP2 O75604 1/20 0.40
MAPK1 P28482 1/20 0.39
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38

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
SCHEMBL3539265 0.85 ALDH1A1 (0.51) CYP3A4SMN1; SMN2TDP1ADORA3ALDH1A1
SCHEMBL3544064 0.84 CYP3A4 (0.45) CYP3A4SMN1; SMN2TDP1ALDH1A1L3MBTL1
SCHEMBL3542442 0.83 CYP3A4 (0.44) CYP3A4SMN1; SMN2TDP1ALDH1A1L3MBTL1
SCHEMBL4791455 0.81 CYP3A4 (0.42) CYP3A4SMN1; SMN2TDP1ALDH1A1L3MBTL1
SCHEMBL3540275 0.81 CYP3A4 (0.42) CYP3A4SMN1; SMN2TDP1ALDH1A1L3MBTL1
SCHEMBL3538236 0.81 CYP3A4 (0.42) CYP3A4SMN1; SMN2TDP1ALDH1A1L3MBTL1
SCHEMBL7361832 0.80 SMN1; SMN2 (0.50) CYP3A4SMN1; SMN2TDP1ADORA3ALDH1A1
SCHEMBL3539018 0.80 CYP3A4 (0.41) CYP3A4SMN1; SMN2TDP1ALDH1A1L3MBTL1
SCHEMBL7358402 0.79 CYP3A4 (0.49) CYP3A4SMN1; SMN2TDP1ADORA3ALDH1A1
SCHEMBL14967024 0.78 ALDH1A1 (0.44) CYP3A4SMN1; SMN2TDP1ALDH1A1L3MBTL1

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-20230219973-A1 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF MOLECURE S.A. (PL) 2023-07-13 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-20230219973-A1 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF USP7, USP28, USP1 CYP3A4 4130/4885SMN1; SMN2 2139/4885TDP1 876/4885

“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.