SCHEMBL561635

SCHEMBL561635

COc1cccc(COc2ccccc2Cn2ccc(C(=O)Nc3c(F)cccc3F)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 4/20 0.51
SMN1; SMN2 Q16637 5/20 0.49
LMNA P02545 3/20 0.49
ALDH1A1 P00352 2/20 0.49
STAT3 P40763 2/20 0.49
MAPT P10636 1/20 0.49
ABCB1 P08183 8/20 0.48
HTR1A P08908 3/20 0.48
DRD2 P14416 3/20 0.48
NPSR1 Q6W5P4 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
HTT P42858 2/20 0.47
HPGD P15428 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
GAA P10253 1/20 0.45
MEN1 O00255 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
SCHEMBL561333 0.92 PTGER1 (0.51) PTGER1SMN1; SMN2LMNAALDH1A1STAT3
SCHEMBL561468 0.91 SMN1; SMN2 (0.55) PTGER1SMN1; SMN2LMNAALDH1A1STAT3
SCHEMBL561067 0.91 PTGER1 (0.49) PTGER1SMN1; SMN2LMNAALDH1A1STAT3
SCHEMBL561799 0.90 PTGER1 (0.55) PTGER1SMN1; SMN2LMNAALDH1A1STAT3
SCHEMBL561255 0.89 SMN1; SMN2 (0.58) PTGER1SMN1; SMN2LMNAALDH1A1STAT3
SCHEMBL561286 0.88 PTGER1 (0.51) PTGER1SMN1; SMN2LMNAALDH1A1STAT3
SCHEMBL561551 0.88 PYGL (0.47) PTGER1SMN1; SMN2LMNAALDH1A1STAT3
SCHEMBL562287 0.86 SMN1; SMN2 (0.56) PTGER1SMN1; SMN2LMNAALDH1A1STAT3
SCHEMBL561624 0.85 SMN1; SMN2 (0.54) PTGER1SMN1; SMN2LMNAALDH1A1STAT3
SCHEMBL561709 0.85 KMT2A (0.51) PTGER1SMN1; SMN2LMNAALDH1A1STAT3

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 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

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.