SCHEMBL758539

SCHEMBL758539

O=C(Nc1ccn(Cc2ccccc2OC(F)(F)F)n1)c1ccccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
MAPT P10636 3/20 0.54
ALDH1A1 P00352 2/20 0.54
STAT3 P40763 1/20 0.54
CACNA1G O43497 2/20 0.48
CACNA1H O95180 2/20 0.48
CACNA1I Q9P0X4 2/20 0.48
NPSR1 Q6W5P4 4/20 0.48
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
EGFR P00533 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.45
PTGER1 P34995 1/20 0.45
GAA P10253 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
SCHEMBL756045 0.90 SMN1; SMN2 (0.54) LMNASMN1; SMN2MAPTALDH1A1STAT3
SCHEMBL758055 0.89 SMN1; SMN2 (0.52) LMNASMN1; SMN2MAPTALDH1A1STAT3
SCHEMBL758049 0.88 NPSR1 (0.52) LMNASMN1; SMN2MAPTALDH1A1STAT3
SCHEMBL756374 0.84 LMNA (0.52) LMNASMN1; SMN2MAPTALDH1A1STAT3
SCHEMBL757450 0.84 STIM1 (0.53) LMNASMN1; SMN2MAPTALDH1A1STAT3
SCHEMBL756313 0.82 STIM1 (0.62) LMNASMN1; SMN2MAPTALDH1A1STAT3
SCHEMBL30096621 0.82 STIM1 (0.62) LMNASMN1; SMN2MAPTALDH1A1STAT3
SCHEMBL755458 0.79 KDM4E (0.54) LMNASMN1; SMN2MAPTALDH1A1STAT3
SCHEMBL758509 0.79 STIM1 (0.57) LMNASMN1; SMN2MAPTALDH1A1STAT3
SCHEMBL759251 0.78 EGFR (0.62) LMNASMN1; SMN2MAPTALDH1A1STAT3

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 LMNA 857/4885SMN1; SMN2 2239/4885MAPT 2886/4885
US-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 LMNA 4198/4885SMN1; SMN2 3063/4885MAPT 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.