SCHEMBL3405113

SCHEMBL3405113

O=C(c1ccc(Br)cc1O)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.47
CES2 O00748 1/20 0.47
GALR3 O60755 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
CASP1 P29466 1/20 0.47
CYP2C19 P33261 1/20 0.47
DGAT1 O75907 1/20 0.43
TMPRSS4 Q9NRS4 1/20 0.42
IDO1 P14902 4/20 0.42
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GSTA1 P08263 1/20 0.41
LMNA P02545 2/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
ALOX12 P18054 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.38

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
SCHEMBL1230860 0.81 DGAT1 (0.61) ALOX15CES2GALR3CYP1A2CYP2C9
SCHEMBL29395694 0.81 DGAT1 (0.61) ALOX15CES2GALR3CYP1A2CYP2C9
SCHEMBL3109673 0.80 CES2 (0.59) ALOX15CES2CYP1A2CYP2C9HPGD
SCHEMBL16099798 0.79 FLT1 (0.42) ALOX15CES2GALR3CYP1A2CYP2C9
SCHEMBL26732915 0.79 KDM4E (0.52) ALOX15CES2GALR3CYP1A2CYP2C9
SCHEMBL29426471 0.79 KDM4E (0.52) DGAT1KDM4E
SCHEMBL31261268 0.79 KDM4E (0.47) ALOX15CES2GALR3CYP1A2CYP2C9
SCHEMBL26732916 0.79 KDM4E (0.52) DGAT1KDM4E
SCHEMBL16555651 0.78 CES2 (0.44) ALOX15CES2GALR3CYP1A2CYP2C9
SCHEMBL17182529 0.77 NPC1 (0.49) ALOX15HPGDTMPRSS4IDO1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8598202-B2 Aryl-hydroxyethylamino-pyrimidines and triazines as modulators of fatty acid amide hydrolase JANSSEN PHARMACEUTICA NV (BE) 2013-12-03 US disclosed
EP-2254415-B1 ARYL-HYDROXYETHYLAMINO-PYRIMIDINES AND TRIAZINES AS MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2013-01-23 EP disclosed
EP-2254415-A1 ARYL-HYDROXYETHYLAMINO-PYRIMIDINES AND TRIAZINES AS MODULATORS OF FATTY ACID AMIDE HYDROLASE Janssen Pharmaceutica, N.V. (BE) 2010-12-01 EP disclosed
US-20090264429-A1 Aryl - Hydroxyethylamino - Pyrimidines and Triazines as Modulators of Fatty Acid amide Hydrolase JANSSEN PHARMACEUTICA NV (BE) 2009-10-22 US disclosed
WO-2009105220-A1 ARYL-HYDROXYETHYLAMINO-PYRIMIDINES AND TRIAZINES AS MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-08-27 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-20090264429-A1 Aryl - Hydroxyethylamino - Pyrimidines and Triazines as Modulators of Fatty Acid amide Hydrolase FAAH, FAAH2, HRH2 ALOX15 36/4885CES2 237/4885GALR3 1408/4885

“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.