SCHEMBL695388

SCHEMBL695388

OCc1c(Br)cccc1OC(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.36
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
EPAS1 Q99814 1/20 0.32
KCNK3 O14649 2/20 0.32
KCNK9 Q9NPC2 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
GAA P10253 2/20 0.32
KDM4E B2RXH2 1/20 0.32
F2R P25116 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL31437517 1.00 SCN9A (0.36) SCN9ARXRARXRBRXRGFFAR4
SCHEMBL1046062 0.87 SCN9A (0.40) SCN9ARXRARXRBRXRGFFAR4
SCHEMBL696298 0.85 KCNK3 (0.33) SCN9ARXRARXRBRXRGHDAC3
SCHEMBL320760 0.79 TRPV1 (0.43) SCN9AGAAMAPTGRIN2B
SCHEMBL26090518 0.76 NOTUM (0.35) EPAS1
SCHEMBL31657265 0.76 NOTUM (0.35) EPAS1
SCHEMBL25310703 0.76 KDM4E (0.34) SCN9ARXRARXRBRXRGHDAC3
SCHEMBL14879898 0.76 MAPT (0.42) L3MBTL1KDM4EALDH1A1MAPTHPGD
SCHEMBL16956124 0.75 HDAC3 (0.38) SCN9ARXRARXRBRXRGFFAR4
SCHEMBL16797206 0.75 KMT2A (0.41) EPAS1ALDH1A1TSHRHTT

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 SCN9A 179/4885RXRA 1479/4885RXRB 1091/4885
US-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 SCN9A 3896/4885RXRA 413/4885RXRB 463/4885

“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.