SCHEMBL758443

SCHEMBL758443

O=C(Nc1ccn(Cc2ccccc2Oc2ccccc2)n1)c1ccccc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
SMN1; SMN2 Q16637 7/20 0.52
LMNA P02545 6/20 0.52
ALDH1A1 P00352 3/20 0.52
MAPT P10636 3/20 0.52
STAT3 P40763 2/20 0.52
NPSR1 Q6W5P4 5/20 0.50
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
HPGD P15428 2/20 0.50
HTT P42858 2/20 0.50
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
GAA P10253 3/20 0.47
EGFR P00533 1/20 0.46
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45

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
SCHEMBL17318575 0.93 SMN1; SMN2 (0.50) L3MBTL1TDP1SMN1; SMN2LMNAALDH1A1
SCHEMBL757442 0.90 STIM1 (0.56) SMN1; SMN2LMNAALDH1A1MAPTSTAT3
SCHEMBL756374 0.88 LMNA (0.52) L3MBTL1TDP1SMN1; SMN2LMNAALDH1A1
SCHEMBL756218 0.88 NPSR1 (0.52) TDP1SMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL758440 0.86 SMN1; SMN2 (0.49) SMN1; SMN2LMNAALDH1A1MAPTSTAT3
SCHEMBL758055 0.85 SMN1; SMN2 (0.52) SMN1; SMN2LMNAALDH1A1MAPTSTAT3
SCHEMBL755860 0.82 STIM1 (0.60) L3MBTL1TDP1SMN1; SMN2LMNAALDH1A1
SCHEMBL756476 0.81 NPSR1 (0.62) TDP1SMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL761251 0.81 KDM4C (0.49) L3MBTL1TDP1SMN1; SMN2LMNAALDH1A1
SCHEMBL757810 0.81 NPSR1 (0.51) TDP1SMN1; SMN2LMNAALDH1A1MAPT

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 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
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 L3MBTL1 4866/4885TDP1 3742/4885SMN1; SMN2 2239/4885
US-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 L3MBTL1 4379/4885TDP1 4000/4885SMN1; SMN2 3063/4885

“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.