SCHEMBL758944

SCHEMBL758944

COc1ccc(Cn2ccc(NC(=O)c3c(F)cccc3F)n2)c(C(F)(F)F)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 2/20 0.76
ORAI1 Q96D31 2/20 0.76
ORAI3 Q9BRQ5 1/20 0.76
EPHX2 P34913 10/20 0.48
RAB9A P51151 3/20 0.46
PPARG P37231 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
STAT3 P40763 1/20 0.45
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
CACNA1G O43497 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
SCHEMBL760700 0.91 STIM1 (0.71) STIM1ORAI1ORAI3EPHX2RAB9A
SCHEMBL756846 0.91 STIM1 (0.62) STIM1ORAI1ORAI3EPHX2PPARG
SCHEMBL757062 0.90 STIM1 (0.70) STIM1ORAI1ORAI3EPHX2RAB9A
SCHEMBL7895037 0.90 STIM1 (0.70) STIM1ORAI1ORAI3EPHX2RAB9A
SCHEMBL695576 0.90 STIM1 (0.75) STIM1ORAI1ORAI3RAB9ASMN1; SMN2
SCHEMBL755784 0.90 STIM1 (0.61) STIM1ORAI1ORAI3EPHX2RAB9A
SCHEMBL3061154 0.89 STIM1 (0.71) STIM1ORAI1ORAI3RAB9ASMN1; SMN2
SCHEMBL696218 0.89 STIM1 (0.73) STIM1ORAI1ORAI3RAB9ASMN1; SMN2
SCHEMBL696220 0.89 STIM1 (0.73) STIM1ORAI1ORAI3RAB9ASMN1; SMN2
SCHEMBL755388 0.89 STIM1 (0.73) STIM1ORAI1ORAI3EPHX2RAB9A

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 10 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-8399436-B2 N-pyrazolyl carboxamides as CRAC channel inhibitors GLAXO GROUP LIMITED (GB) 2013-03-19 US disclosed
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
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-01 US disclosed
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-01 US 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
US-20100273744-A1 COMPOUNDS GORE PAUL MARTIN 2010-10-28 US 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 STIM1 33/4885ORAI1 1/4885ORAI3 25/4885
US-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 STIM1 2564/4885ORAI1 3127/4885ORAI3 2440/4885

“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.