SCHEMBL561633

SCHEMBL561633

O=C(Nc1c(F)cccc1F)c1ccn(Cc2ccccc2OCC2CCC2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 3/20 0.44
ALDH1A1 P00352 2/20 0.44
STAT3 P40763 2/20 0.44
MAPT P10636 1/20 0.44
PTGER1 P34995 3/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
GAA P10253 1/20 0.39
CYP2D6 P10635 1/20 0.38
DCPS Q96C86 1/20 0.38

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
SCHEMBL561972 0.89 PTGER1 (0.51) SMN1; SMN2LMNAPTGER1NPC1RAB9A
SCHEMBL561070 0.87 NPY5R (0.43) SMN1; SMN2LMNAALDH1A1STAT3MAPT
SCHEMBL561216 0.87 PTGER1 (0.51) SMN1; SMN2LMNAPTGER1NPSR1HTT
SCHEMBL560971 0.85 PTGER1 (0.53) SMN1; SMN2LMNAPTGER1NPC1RAB9A
SCHEMBL561402 0.85 PDE4D (0.48) SMN1; SMN2LMNAALDH1A1STAT3MAPT
SCHEMBL561556 0.84 SMN1; SMN2 (0.48) SMN1; SMN2LMNAALDH1A1STAT3MAPT
SCHEMBL561292 0.84 PTGER1 (0.40) PTGER1CYP2D6DCPSRIPK1PIM3
SCHEMBL560205 0.84 PDE4D (0.48) SMN1; SMN2LMNAALDH1A1STAT3MAPT
SCHEMBL758442 0.83 STIM1 (0.52) SMN1; SMN2LMNAALDH1A1STAT3MAPT
SCHEMBL561255 0.83 SMN1; SMN2 (0.58) 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 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 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.