SCHEMBL759700

SCHEMBL759700

O=C(Nc1ccn(Cc2cc(Cl)ccc2OCc2ccccc2)n1)c1c(F)cccc1F

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 13/20 0.78
LMNA P02545 4/20 0.60
NPSR1 Q6W5P4 3/20 0.60
GAA P10253 1/20 0.60
SMN1; SMN2 Q16637 5/20 0.59
MAPT P10636 2/20 0.59
ALDH1A1 P00352 1/20 0.59
STAT3 P40763 1/20 0.59
HTT P42858 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
HPGD P15428 1/20 0.59
CYP2C19 P33261 1/20 0.59
STIM1 Q13586 1/20 0.54
ORAI1 Q96D31 1/20 0.54
ORAI3 Q9BRQ5 1/20 0.54
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
NFKB1 P19838 1/20 0.53

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
SCHEMBL757179 0.96 PTGER1 (0.75) PTGER1LMNANPSR1GAASMN1; SMN2
SCHEMBL757524 0.93 PTGER1 (0.67) PTGER1LMNANPSR1GAASMN1; SMN2
SCHEMBL755782 0.89 PTGER1 (0.63) PTGER1LMNANPSR1GAASMN1; SMN2
SCHEMBL704436 0.89 SMN1; SMN2 (0.65) PTGER1LMNANPSR1GAASMN1; SMN2
SCHEMBL758016 0.86 PTGER1 (0.57) PTGER1LMNANPSR1GAASMN1; SMN2
SCHEMBL757451 0.86 PTGER1 (0.57) PTGER1LMNANPSR1GAASMN1; SMN2
SCHEMBL560584 0.85 PTGER1 (0.72) PTGER1LMNANPSR1GAASMN1; SMN2
SCHEMBL4095170 0.84 PTGER1 (1.00) PTGER1CYP1A2CYP2C9CYP2C19
SCHEMBL758338 0.84 SMN1; SMN2 (0.59) PTGER1LMNANPSR1GAASMN1; SMN2
SCHEMBL755923 0.84 SMN1; SMN2 (0.59) PTGER1LMNANPSR1GAASMN1; SMN2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399436-B2 N-pyrazolyl carboxamides as CRAC channel inhibitors GLAXO GROUP LIMITED (GB) 2013-03-19 US claimed
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-01 US claimed
US-8399436-B2 N-pyrazolyl carboxamides as CRAC channel inhibitors GLAXO GROUP LIMITED (GB) 2013-03-19 US disclosed
US-8399436-B2 N-pyrazolyl carboxamides as CRAC channel inhibitors GLAXO GROUP LIMITED (GB) 2013-03-19 US disclosed
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-01 US disclosed
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-01 US disclosed
WO-2010122089-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INHIBITORS GLAXO GROUP LIMITED (GB) 2010-10-28 WO disclosed
US-20100273744-A1 COMPOUNDS GORE PAUL MARTIN 2010-10-28 US disclosed
US-20100273744-A1 COMPOUNDS GORE PAUL MARTIN 2010-10-28 US disclosed
US-20100273744-A1 COMPOUNDS GORE PAUL MARTIN 2010-10-28 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 (2 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-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS ORAI1, TRPV1, CACNA1E PTGER1 627/4885LMNA 857/4885NPSR1 1293/4885
US-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 PTGER1 247/4885LMNA 4198/4885NPSR1 1288/4885

“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.