SCHEMBL561346

SCHEMBL561346

CCC(C)COc1ccccc1Cn1ccc(C(=O)Nc2c(F)cccc2F)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.44
LMNA P02545 3/20 0.44
ALDH1A1 P00352 2/20 0.44
STAT3 P40763 2/20 0.44
MAPT P10636 2/20 0.44
PTGER1 P34995 2/20 0.42
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
NPSR1 Q6W5P4 3/20 0.39
HTT P42858 2/20 0.39
HPGD P15428 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL561047 0.92 SMN1; SMN2 (0.46) SMN1; SMN2LMNAALDH1A1STAT3MAPT
SCHEMBL561556 0.88 SMN1; SMN2 (0.48) SMN1; SMN2LMNAALDH1A1STAT3MAPT
SCHEMBL561125 0.86 SMN1; SMN2 (0.46) SMN1; SMN2LMNAALDH1A1STAT3MAPT
SCHEMBL561785 0.85 SMN1; SMN2 (0.49) SMN1; SMN2LMNAALDH1A1STAT3MAPT
SCHEMBL561709 0.84 KMT2A (0.51) SMN1; SMN2LMNAALDH1A1STAT3MAPT
SCHEMBL561754 0.83 LMNA (0.49) SMN1; SMN2LMNAALDH1A1STAT3MAPT
SCHEMBL562048 0.83 SMN1; SMN2 (0.56) SMN1; SMN2LMNAALDH1A1STAT3MAPT
SCHEMBL561255 0.83 SMN1; SMN2 (0.58) SMN1; SMN2LMNAALDH1A1STAT3MAPT
SCHEMBL561810 0.82 SMN1; SMN2 (0.45) SMN1; SMN2LMNAALDH1A1STAT3MAPT
SCHEMBL562287 0.81 SMN1; SMN2 (0.56) 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 6 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
EP-2421834-A1 PYRAZOLE AND TRIAZOLE CARBOXAMIDES AS CRAC CHANNEL INHIBITORS Glaxo Group Limited (GB) 2012-02-29 EP disclosed
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
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 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.