SCHEMBL19914418

SCHEMBL19914418

Nc1cc(OC(F)(F)F)c(F)cc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 1/20 0.41
▸ EPHX2 P34913 1/20 0.40
▸ APP P05067 2/20 0.33
▸ KCNH2 Q12809 1/20 0.32
▸ TMEM97 Q5BJF2 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ IDO1 P14902 1/20 0.31
▸ SLC7A5 Q01650 1/20 0.31
▸ ALOX5AP P20292 1/20 0.31
▸ FEN1 P39748 1/20 0.31
▸ SCN9A Q15858 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30

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
SCHEMBL19899632 0.92 PDE2A (0.41) PDE2AEPHX2APPKCNH2TMEM97
SCHEMBL30068477 0.84 PDE2A (0.41) PDE2AEPHX2KDM4EMEN1ALDH1A1
SCHEMBL23389167 0.84 PDE2A (0.41) PDE2AEPHX2KDM4EMEN1ALDH1A1
SCHEMBL10333792 0.82 PDE2A (0.40) PDE2AEPHX2KDM4EMEN1ALDH1A1
SCHEMBL30695929 0.82 PDE2A (0.40) PDE2AEPHX2KDM4EMEN1ALDH1A1
SCHEMBL19914321 0.79 HPGD (0.39) APPALDH1A1GAAMAPTSCN9A
SCHEMBL10523458 0.78 PDE2A (0.40) PDE2AEPHX2KDM4EMEN1ALDH1A1
SCHEMBL17959939 0.77 EPHX2 (0.40) PDE2AEPHX2APPKCNH2TMEM97
SCHEMBL21729544 0.77 PDE2A (0.37) PDE2AEPHX2MEN1ALDH1A1MAPT
SCHEMBL19914419 0.76 KDM4E (0.42) KDM4EMEN1ALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190194179-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2019-06-27 — — US disclosed
US-20190194179-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2019-06-27 — — US disclosed
WO-2018037223-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2018-03-01 — — 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-20190194179-A1 ANTIBIOTIC COMPOUNDS B3GNT2, RPN2, RPN1 PDE2A 1594/4885EPHX2 4325/4885APP 2732/4885

“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.

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