SCHEMBL758049

SCHEMBL758049

Cc1ccccc1C(=O)Nc1ccn(Cc2ccccc2OC(F)(F)F)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.52
LMNA P02545 4/20 0.49
MAPT P10636 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
KMT2A Q03164 1/20 0.48
CACNA1G O43497 4/20 0.47
CACNA1H O95180 4/20 0.47
CACNA1I Q9P0X4 4/20 0.47
KDM4E B2RXH2 2/20 0.47
APP P05067 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
SNCA P37840 1/20 0.47
HTT P42858 1/20 0.47
ALDH1A1 P00352 4/20 0.45
STAT3 P40763 1/20 0.45
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GAA P10253 2/20 0.44
NPC1 O15118 2/20 0.44

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
SCHEMBL758055 0.89 SMN1; SMN2 (0.52) NPSR1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL758539 0.88 LMNA (0.54) NPSR1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL756218 0.84 NPSR1 (0.52) NPSR1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL759098 0.84 NPSR1 (0.54) NPSR1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL756313 0.82 STIM1 (0.62) NPSR1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL30096621 0.82 STIM1 (0.62) NPSR1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL756045 0.82 SMN1; SMN2 (0.54) NPSR1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL756476 0.78 NPSR1 (0.62) NPSR1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL760682 0.78 STIM1 (0.54) NPSR1LMNAMAPTSMN1; SMN2CACNA1G
SCHEMBL757550 0.77 STIM1 (0.55) NPSR1LMNAMAPTSMN1; SMN2CACNA1G

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 NPSR1 1293/4885LMNA 857/4885MAPT 2886/4885
US-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 NPSR1 1288/4885LMNA 4198/4885MAPT 1336/4885

“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.