SCHEMBL758543

SCHEMBL758543

FC(F)(F)c1cc(Oc2ccc(CBr)c(C(F)(F)F)c2)ccc1CBr

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.41
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
KCNH2 Q12809 1/20 0.40
IDO1 P14902 3/20 0.40
EPHX2 P34913 3/20 0.39

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
SCHEMBL695601 0.92 EPHX2 (0.42) ARIDO1EPHX2
SCHEMBL695243 0.85 EPHX2 (0.54) EPHX2
SCHEMBL695762 0.81 PDK2 (0.39) ARIDO1
SCHEMBL14675824 0.80 EPHX2 (0.46) EPHX2
SCHEMBL28545726 0.79 KIF11 (0.46) IDO1EPHX2
SCHEMBL694270 0.77 AR (0.51) AR
SCHEMBL195156 0.76 KDM1A (0.43) SLC6A4IDO1
SCHEMBL627838 0.76 DAO (0.46) SLC6A4IDO1
SCHEMBL29452391 0.76 KDM1A (0.43) SLC6A4IDO1
SCHEMBL488748 0.76 IDO1 (0.59) SLC6A4IDO1

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 2 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

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-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS ORAI1, TRPV1, CACNA1E AR 1477/4885HTR2A 1887/4885SLC6A4 3868/4885

“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.