SCHEMBL5452795

SCHEMBL5452795

OCc1ccc(Nc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
EPHX2 P34913 2/20 0.51
FAAH O00519 1/20 0.51
ABL1 P00519 2/20 0.47
BCR P11274 2/20 0.47
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
PLA2G1B P04054 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
TP53 P04637 2/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 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
SCHEMBL5703597 0.94 MEN1 (0.50) MAPTEPHX2FAAHABL1BCR
SCHEMBL963834 0.89 PPARG (0.53) MAPTEPHX2FAAHLMNAPPARG
SCHEMBL1923201 0.84 MAPT (0.61) MAPTEPHX2ABL1BCRLMNA
SCHEMBL3194551 0.84 MAPT (0.61) MAPTEPHX2ABL1BCRLMNA
SCHEMBL508667 0.83 SLC6A4 (0.49) MAPTEPHX2FAAHL3MBTL1PPARG
SCHEMBL8027367 0.83 PPARA (0.49) MAPTEPHX2FAAHPPARGPPARA
SCHEMBL1747062 0.83 LTA4H (0.59) MAPTEPHX2FAAHPPARGPPARA
SCHEMBL14965865 0.80 TRPV1 (0.72) EPHX2FAAHABL1SMN1; SMN2MEN1
SCHEMBL20805838 0.80 EPHX2 (0.71) MAPTEPHX2FAAHSMN1; SMN2MEN1
SCHEMBL15146260 0.79 MAPT (0.56) MAPTEPHX2FAAHLMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070129433-A1 Diphenylamine derivatives MERCK PATENT GMBH (DE) 2007-06-07 US claimed
EP-1687253-A2 DIPHENYLAMINE DERIVATIVES Merk Patent Gmbh (DE) 2006-08-09 EP claimed
WO-2005051888-A2 DIPHENYLAMINE DERIVATIVES MERK PATENT GMBH (DE) 2005-06-09 WO claimed
US-20070129433-A1 Diphenylamine derivatives MERCK PATENT GMBH (DE) 2007-06-07 US disclosed
US-20070129433-A1 Diphenylamine derivatives MERCK PATENT GMBH (DE) 2007-06-07 US disclosed
US-20070123586-A1 Nitroso derivatives of diphenylamine MERCK PATENT GMBH (DE) 2007-05-31 US disclosed
US-20070123586-A1 Nitroso derivatives of diphenylamine MERCK PATENT GMBH (DE) 2007-05-31 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 (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-20070123586-A1 Nitroso derivatives of diphenylamine NOS3, CBR3, CBR1 MAPT 4776/4885EPHX2 2041/4885FAAH 1611/4885
US-20070129433-A1 Diphenylamine derivatives CCNY, CHKB, CHKA MAPT 4556/4885EPHX2 2797/4885FAAH 817/4885

“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.