SCHEMBL561799

SCHEMBL561799

Cc1cccc(COc2ccccc2Cn2ccc(C(=O)Nc3c(F)cccc3F)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 9/20 0.55
SMN1; SMN2 Q16637 7/20 0.51
LMNA P02545 6/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPT P10636 3/20 0.51
STAT3 P40763 2/20 0.51
NPSR1 Q6W5P4 3/20 0.45
HTT P42858 3/20 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
HPGD P15428 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP2D6 P10635 1/20 0.45
GAA P10253 2/20 0.44
CACNA1G O43497 1/20 0.44

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
SCHEMBL562287 0.91 SMN1; SMN2 (0.56) PTGER1SMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL561255 0.91 SMN1; SMN2 (0.58) PTGER1SMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL561635 0.90 PTGER1 (0.51) PTGER1SMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL561286 0.89 PTGER1 (0.51) PTGER1SMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL561333 0.89 PTGER1 (0.51) PTGER1SMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL561067 0.87 PTGER1 (0.49) PTGER1SMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL561754 0.87 LMNA (0.49) PTGER1SMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL561064 0.86 PTGER1 (0.49) PTGER1SMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL561468 0.86 SMN1; SMN2 (0.55) PTGER1SMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL561217 0.85 SMN1; SMN2 (0.56) PTGER1SMN1; SMN2LMNAALDH1A1MAPT

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 3 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 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.