SCHEMBL561333

SCHEMBL561333

CCOc1cccc(COc2ccccc2Cn2ccc(C(=O)Nc3c(F)cccc3F)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 7/20 0.51
SMN1; SMN2 Q16637 7/20 0.49
LMNA P02545 6/20 0.49
ALDH1A1 P00352 5/20 0.49
NPSR1 Q6W5P4 3/20 0.49
MAPT P10636 3/20 0.49
HTT P42858 3/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
STAT3 P40763 2/20 0.49
HPGD P15428 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
GAA P10253 2/20 0.45
KDM4E B2RXH2 1/20 0.42
PLA2G1B P04054 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
MEN1 O00255 3/20 0.41

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
SCHEMBL561067 0.93 PTGER1 (0.49) PTGER1SMN1; SMN2LMNAALDH1A1NPSR1
SCHEMBL561635 0.92 PTGER1 (0.51) PTGER1SMN1; SMN2LMNAALDH1A1NPSR1
SCHEMBL561624 0.91 SMN1; SMN2 (0.54) PTGER1SMN1; SMN2LMNAALDH1A1NPSR1
SCHEMBL561799 0.89 PTGER1 (0.55) PTGER1SMN1; SMN2LMNAALDH1A1NPSR1
SCHEMBL561785 0.89 SMN1; SMN2 (0.49) PTGER1SMN1; SMN2LMNAALDH1A1NPSR1
SCHEMBL561255 0.88 SMN1; SMN2 (0.58) PTGER1SMN1; SMN2LMNAALDH1A1NPSR1
SCHEMBL561556 0.88 SMN1; SMN2 (0.48) PTGER1SMN1; SMN2LMNAALDH1A1NPSR1
SCHEMBL561286 0.87 PTGER1 (0.51) PTGER1SMN1; SMN2LMNAALDH1A1NPSR1
SCHEMBL561468 0.85 SMN1; SMN2 (0.55) PTGER1SMN1; SMN2LMNAALDH1A1NPSR1
SCHEMBL562287 0.85 SMN1; SMN2 (0.56) PTGER1SMN1; SMN2LMNAALDH1A1NPSR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035237-A1 PYRAZOLE AND TRIAZOLE CARBOXAMIDES AS CRAC CHANN EL INHIBITORS COE DIANE MARY (GB) 2012-02-09 US claimed
US-20120035237-A1 PYRAZOLE AND TRIAZOLE CARBOXAMIDES AS CRAC CHANN EL INHIBITORS COE DIANE MARY (GB) 2012-02-09 US disclosed
US-20120035237-A1 PYRAZOLE AND TRIAZOLE CARBOXAMIDES AS CRAC CHANN EL INHIBITORS COE DIANE MARY (GB) 2012-02-09 US disclosed
WO-2010122088-A1 PYRAZOLE AND TRIAZOLE CARBOXAMIDES AS CRAC CHANNEL INHIBITORS GLAXO GROUP LIMITED (GB) 2010-10-28 WO 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-20120035237-A1 PYRAZOLE AND TRIAZOLE CARBOXAMIDES AS CRAC CHANN EL INHIBITORS RYR2, PAICS, CTRC PTGER1 1951/4885SMN1; SMN2 3056/4885LMNA 1433/4885

“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.