SCHEMBL694270

SCHEMBL694270

FC(F)(F)c1cc(OCc2ccccc2)ccc1CBr

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.51
ALOX5 P09917 1/20 0.49
MAOB P27338 11/20 0.46
PDK2 Q15119 1/20 0.45
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTGS2 P35354 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HIF1A Q16665 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
NSD2 O96028 1/20 0.43
ABL1 P00519 1/20 0.43
PPARG P37231 1/20 0.43
RIN1 Q13671 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43

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
SCHEMBL695145 0.87 AR (0.52) ARALOX5MAOBPDK2LMNA
SCHEMBL5017371 0.82 AR (0.53) ARALOX5MAOBPDK2LMNA
SCHEMBL8762006 0.81 ALOX5 (0.58) ALOX5MAOBLMNACYP1A2PTGS1
SCHEMBL5540071 0.81 AR (0.50) ARALOX5MAOBPDK2MRGPRX4
SCHEMBL5540079 0.81 AR (0.50) ARALOX5MAOBPDK2MRGPRX4
SCHEMBL3775086 0.80 ALOX5 (0.53) ALOX5MAOBLMNACYP1A2PTGS1
SCHEMBL695601 0.80 EPHX2 (0.42) ARPDK2PPARG
SCHEMBL17094731 0.79 AR (0.53) ARALOX5MAOBPDK2LMNA
SCHEMBL8808194 0.79 AR (0.53) ARALOX5MAOBPDK2LMNA
SCHEMBL758543 0.77 AR (0.41) AR

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-8399436-B2 N-pyrazolyl carboxamides as CRAC channel inhibitors GLAXO GROUP LIMITED (GB) 2013-03-19 US disclosed
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-01 US disclosed
EP-2421835-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INHIBITORS Glaxo Group Limited (GB) 2012-02-29 EP disclosed
WO-2010122089-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INHIBITORS GLAXO GROUP LIMITED (GB) 2010-10-28 WO disclosed
US-20100273744-A1 COMPOUNDS GORE PAUL MARTIN 2010-10-28 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-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS ORAI1, TRPV1, CACNA1E AR 1477/4885ALOX5 1580/4885MAOB 2348/4885
US-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 AR 1582/4885ALOX5 56/4885MAOB 396/4885

“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.