SCHEMBL562048

SCHEMBL562048

CC(C)c1ccc(COc2ccccc2Cn2ccc(C(=O)Nc3c(F)cccc3F)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.56
LMNA P02545 5/20 0.56
ALDH1A1 P00352 3/20 0.56
STAT3 P40763 2/20 0.56
MAPT P10636 2/20 0.56
PTGER1 P34995 7/20 0.52
CACNA1G O43497 3/20 0.49
CACNA1H O95180 3/20 0.49
CACNA1I Q9P0X4 3/20 0.49
NPSR1 Q6W5P4 4/20 0.46
HTT P42858 3/20 0.46
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
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 2/20 0.42

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 0.90 SMN1; SMN2 (0.56) SMN1; SMN2LMNAALDH1A1STAT3MAPT
SCHEMBL561255 0.90 SMN1; SMN2 (0.58) SMN1; SMN2LMNAALDH1A1STAT3MAPT
SCHEMBL561468 0.89 SMN1; SMN2 (0.55) SMN1; SMN2LMNAALDH1A1STAT3MAPT
SCHEMBL561217 0.88 SMN1; SMN2 (0.56) SMN1; SMN2LMNAALDH1A1STAT3MAPT
SCHEMBL561624 0.88 SMN1; SMN2 (0.54) SMN1; SMN2LMNAALDH1A1STAT3MAPT
SCHEMBL561047 0.85 SMN1; SMN2 (0.46) SMN1; SMN2LMNAALDH1A1STAT3MAPT
SCHEMBL561799 0.85 PTGER1 (0.55) SMN1; SMN2LMNAALDH1A1STAT3MAPT
SCHEMBL561785 0.84 SMN1; SMN2 (0.49) SMN1; SMN2LMNAALDH1A1STAT3MAPT
SCHEMBL561754 0.84 LMNA (0.49) SMN1; SMN2LMNAALDH1A1STAT3MAPT
SCHEMBL561556 0.84 SMN1; SMN2 (0.48) SMN1; SMN2LMNAALDH1A1STAT3MAPT

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-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 SMN1; SMN2 3056/4885LMNA 1433/4885ALDH1A1 1856/4885

“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.