SCHEMBL2415294

SCHEMBL2415294

CCOC(=O)c1ccc(C(F)(F)F)c(OC)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.51
CNR2 P34972 5/20 0.46
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.42
HSP90AA1 P07900 1/20 0.42
RAB9A P51151 1/20 0.42
CNR1 P21554 1/20 0.41
KDM4E B2RXH2 3/20 0.41
GABRA2 P47869 3/20 0.40
GABRB2 P47870 3/20 0.40
CDC7 O00311 1/20 0.40
DBF4 Q9UBU7 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL16224786 0.85 NOTUM (0.45) CNR2ALDH1A1MAPTCNR1KDM4E
SCHEMBL5437481 0.84 CYP1A2 (0.56) CYP1A2CNR2HDAC3HDAC4HDAC1
SCHEMBL3214847 0.82 CYP1A2 (0.54) CYP1A2CNR2HDAC3HDAC4HDAC1
SCHEMBL3214818 0.81 CYP1A2 (0.53) CYP1A2CNR2HDAC3HDAC4HDAC1
SCHEMBL5432959 0.81 CYP1A2 (0.53) CYP1A2CNR2HDAC3HDAC4HDAC1
SCHEMBL5444545 0.80 CNR2 (0.55) CNR2CNR1
SCHEMBL5437280 0.79 CYP1A2 (0.50) CYP1A2CNR2HDAC3HDAC4HDAC1
SCHEMBL5437263 0.79 CYP1A2 (0.50) CYP1A2CNR2HDAC3HDAC4HDAC1
SCHEMBL5435177 0.78 CYP1A2 (0.49) CYP1A2CNR2HDAC3HDAC4HDAC1
SCHEMBL2415855 0.78 CYP1A2 (0.56) CYP1A2MAPTNPC1HSP90AA1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020252414-A1 NAPHTHOQUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS PTC THERAPEUTICS, INC. (US) 2020-12-17 WO disclosed
US-8822503-B2 2-pyridone compounds TAISHO PHARMACEUTICAL CO., LTD (JP) 2014-09-02 US disclosed
EP-2508513-A1 2-PYRIDONE COMPOUNDS Taisho Pharmaceutical Co., Ltd. (JP) 2012-10-10 EP disclosed
US-20110237791-A1 2-PYRIDONE COMPOUNDS TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-09-29 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-20110237791-A1 2-PYRIDONE COMPOUNDS PDXK, HK1, KCNJ2 CYP1A2 515/4885CNR2 825/4885HDAC3 859/4885

“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.