SCHEMBL21623587

SCHEMBL21623587

Cc1ccc2oc(C(F)(F)F)cc(=O)c2c1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
EPHX2 P34913 1/20 0.41
ALDH1A1 P00352 4/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 4/20 0.36
KDM1A O60341 1/20 0.35
TSHR P16473 3/20 0.35
CYP3A4 P08684 1/20 0.35
HTT P42858 1/20 0.35
MCL1 Q07820 1/20 0.35
HPGD P15428 2/20 0.34
PIM1 P11309 1/20 0.34
DYRK1A Q13627 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 1/20 0.33
KIF11 P52732 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL21623584 0.84 EPHX2 (0.48) LMNAEPHX2ALDH1A1TDP1MAPT
SCHEMBL21626500 0.76 MAPT (0.43) LMNAEPHX2ALDH1A1MAPTCYP3A4
SCHEMBL28340365 0.70 ALDH1A1 (0.39) LMNAALDH1A1TDP1MAPTTSHR
SCHEMBL21623582 0.69 MAPT (0.44) LMNAEPHX2ALDH1A1TDP1MAPT
SCHEMBL31352372 0.69 MAPT (0.44) LMNAEPHX2ALDH1A1TDP1MAPT
SCHEMBL4427648 0.65 ALDH1A1 (0.71) ALDH1A1TDP1TSHRCYP3A4
SCHEMBL21603504 0.64 ALDH1A1 (0.48) ALDH1A1TDP1TSHRCYP3A4
SCHEMBL4923328 0.64 ALDH1A1 (0.47) LMNAALDH1A1TDP1MAPTTSHR
SCHEMBL21623583 0.63 EPHX2 (0.49) LMNAEPHX2ALDH1A1MAPTKDM1A
SCHEMBL27895758 0.63 ALDH1A1 (0.47) LMNAALDH1A1TDP1TSHRCYP3A4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12152012-B2 BRAG2 inhibitors and applications thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2024-11-26 US disclosed
US-20210284620-A1 BRAG2 INHIBITORS AND APPLICATIONS THEREOF INSTITUT CURIE (10% PART INTEREST) (FR) 2021-09-16 US disclosed
US-20210284620-A1 BRAG2 INHIBITORS AND APPLICATIONS THEREOF INSTITUT CURIE (10% PART INTEREST) (FR) 2021-09-16 US disclosed
EP-3823612-A1 BRAG2 INHIBITORS AND APPLICATIONS THEREOF Centre National de la Recherche Scientifique (FR) 2021-05-26 EP disclosed
WO-2020016239-A1 BRAG2 INHIBITORS AND APPLICATIONS THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2020-01-23 WO disclosed
EP-3597187-A1 BRAG2 INHIBITORS AND APPLICATIONS THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2020-01-22 EP 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 (2 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-20210284620-A1 BRAG2 INHIBITORS AND APPLICATIONS THEREOF ING2, BRAP, BRWD1 LMNA 4610/4885EPHX2 1545/4885ALDH1A1 3962/4885
US-12152012-B2 BRAG2 inhibitors and applications thereof ING2, BRAP, BRWD1 LMNA 4610/4885EPHX2 1545/4885ALDH1A1 3962/4885

“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.