SCHEMBL696298

SCHEMBL696298

FC(F)(F)Oc1cccc(Br)c1CBr

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 3/20 0.33
KCNK9 Q9NPC2 3/20 0.33
SCN9A Q15858 2/20 0.33
KDM4E B2RXH2 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
F2R P25116 1/20 0.33
MPL P40238 1/20 0.33
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
SLC6A3 Q01959 3/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 1/20 0.31
DRD2 P14416 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL695388 0.85 SCN9A (0.36) KCNK3KCNK9SCN9AKDM4ERXRA
SCHEMBL31437517 0.85 SCN9A (0.36) KCNK3KCNK9SCN9AKDM4ERXRA
SCHEMBL6027342 0.83 MPL (0.35) KCNK3KCNK9SCN9AKDM4ERXRA
SCHEMBL31373396 0.81 GRIA1 (0.40)
SCHEMBL18585068 0.81 GRIA1 (0.40)
SCHEMBL29471353 0.77 HTR7 (0.38) KCNK3KCNK9SCN9ARXRARXRB
SCHEMBL615592 0.77 HTR7 (0.38) KCNK3KCNK9SCN9ARXRARXRB
SCHEMBL16184453 0.76 MPL (0.44) KCNK3KCNK9SCN9AKDM4ERXRA
SCHEMBL30133444 0.76 HTR2A (0.43) KDM4EL3MBTL1
SCHEMBL6550705 0.76 HTR2A (0.43) KDM4EL3MBTL1

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 KCNK3 202/4885KCNK9 327/4885SCN9A 179/4885
US-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 KCNK3 2483/4885KCNK9 3561/4885SCN9A 3896/4885

“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.