SCHEMBL2423765

SCHEMBL2423765

CCOC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)nn1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.59
MAPT P10636 2/20 0.51
POLB P06746 4/20 0.48
TDP1 Q9NUW8 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
APEX1 P27695 1/20 0.48
RECQL P46063 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
KDM4E B2RXH2 2/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
SLC34A1 Q06495 1/20 0.46
HRH2 P25021 1/20 0.46
HRH1 P35367 1/20 0.46
ALDH1A1 P00352 2/20 0.46
PPARG P37231 1/20 0.45
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45
ELANE P08246 1/20 0.44

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
SCHEMBL718990 0.87 FAAH (0.59) FAAHMAPTPOLBTDP1L3MBTL1
SCHEMBL4685138 0.86 FAAH (0.54) FAAHMAPTPOLBTDP1L3MBTL1
SCHEMBL4692400 0.86 MAPT (0.66) FAAHMAPTPOLBTDP1L3MBTL1
SCHEMBL2428624 0.85 MAPT (0.56) FAAHMAPTPOLBTDP1L3MBTL1
SCHEMBL2423857 0.85 MAPT (0.48) FAAHMAPTPOLBTDP1L3MBTL1
SCHEMBL5340156 0.85 FAAH (0.57) FAAHMAPTPOLBTDP1L3MBTL1
SCHEMBL28759381 0.85 PPARG (0.48) MAPTKDM4EGAAMAPK1PPARG
SCHEMBL4682118 0.84 MAPT (0.47) FAAHMAPTPOLBTDP1L3MBTL1
SCHEMBL4679879 0.83 MAPT (0.53) FAAHMAPTPOLBTDP1L3MBTL1
SCHEMBL4692437 0.83 FAAH (0.58) FAAHMAPTPOLBTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110237640-A1 PYRAZOLE PHENYL DERIVATIVES ACKERMANN JEAN 2011-09-29 US disclosed
US-20100035953-A1 Pyrazole Phenyl Derivatives ACKERMANN JEAN 2010-02-11 US disclosed
EP-1742923-B1 PYRAZOLE PHENYL DERIVATIVES AS PPAR ACTIVATORS HOFFMANN LA ROCHE (CH) 2009-05-27 EP disclosed
EP-1725546-B1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS HOFFMANN LA ROCHE (CH) 2008-10-08 EP disclosed
US-7265149-B2 Indolyl derivatives HOFFMANN-LA ROCHE INC. (US) 2007-09-04 US disclosed
EP-1742923-A1 PYRAZOLE PHENYL DERIVATIVES AS PPAR ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2007-01-17 EP disclosed
EP-1725546-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2006-11-29 EP disclosed
WO-2005105754-A1 PYRAZOLE PHENYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-10 WO disclosed
US-20050245589-A1 Pyrazole phenyl derivatives HOFFMANN-LA ROCHE INC. 2005-11-03 US disclosed
US-20050203160-A1 Indolyl derivatives HOFFMANN-LA ROCHE INC. 2005-09-15 US disclosed
WO-2005085235-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-15 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 (4 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-20100035953-A1 Pyrazole Phenyl Derivatives PPARD, PPARG, PPARA FAAH 1799/4885MAPT 4133/4885POLB 2030/4885
US-20050245589-A1 Pyrazole phenyl derivatives PPARD, PPARG, PPARA FAAH 1799/4885MAPT 4133/4885POLB 2030/4885
US-20110237640-A1 PYRAZOLE PHENYL DERIVATIVES PPARD, PPARG, PPARA FAAH 1799/4885MAPT 4133/4885POLB 2030/4885
US-20050203160-A1 Indolyl derivatives PPARD, PPARA, PPARG FAAH 1176/4885MAPT 3559/4885POLB 2066/4885

“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.