SCHEMBL694365

SCHEMBL694365

Nc1ccn(Cc2ccccc2OCc2ccccc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
PTGER1 P34995 4/20 0.51
HTR1A P08908 1/20 0.50
DRD2 P14416 1/20 0.50
GAA P10253 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
LMNA P02545 2/20 0.48
KDM4E B2RXH2 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
HPGD P15428 1/20 0.48
BLM P54132 1/20 0.48
LTA4H P09960 1/20 0.48
MAPK14 Q16539 1/20 0.48
POLB P06746 1/20 0.47
ABCB1 P08183 1/20 0.47

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
SCHEMBL696369 0.84 PTGER1 (0.69) PTGER1
SCHEMBL695045 0.81 ALDH1A1 (0.57) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL634581 0.78 ALDH1A1 (0.65) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL756024 0.77 PTGER1 (0.47) ALDH1A1MEN1KMT2APTGER1HTR1A
SCHEMBL18762166 0.76 PTGER1 (0.78) ALDH1A1PTGER1LMNAMAPTHPGD
SCHEMBL3440030 0.72 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL3440018 0.72 ALDH1A1 (0.66) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL3440017 0.72 KMT2A (0.66) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL25227154 0.71 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL2823981 0.71 TBXAS1 (0.67) ALDH1A1HTR1ADRD2MAPTPOLB

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 12 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 disclosed
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
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-01 US disclosed
EP-2421835-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INHIBITORS Glaxo Group Limited (GB) 2012-02-29 EP disclosed
WO-2010122089-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INHIBITORS GLAXO GROUP LIMITED (GB) 2010-10-28 WO 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 ALDH1A1 1857/4885MEN1 2873/4885KMT2A 3401/4885
US-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 ALDH1A1 447/4885MEN1 3849/4885KMT2A 1734/4885

“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.