SCHEMBL758440

SCHEMBL758440

O=C(Nc1ccn(Cc2ccccc2Oc2ccccc2)n1)c1c(F)cncc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.49
LMNA P02545 7/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPT P10636 3/20 0.49
STAT3 P40763 2/20 0.49
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
STIM1 Q13586 2/20 0.48
ORAI1 Q96D31 2/20 0.48
ORAI3 Q9BRQ5 1/20 0.48
NPSR1 Q6W5P4 6/20 0.47
HTT P42858 3/20 0.47
HPGD P15428 2/20 0.47
PKM P14618 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
GAA P10253 2/20 0.44
NFKB1 P19838 1/20 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
SCHEMBL757442 0.92 STIM1 (0.56) SMN1; SMN2LMNAALDH1A1MAPTSTAT3
SCHEMBL758443 0.86 L3MBTL1 (0.55) SMN1; SMN2LMNAALDH1A1MAPTSTAT3
SCHEMBL756929 0.84 SMN1; SMN2 (0.52) SMN1; SMN2LMNAALDH1A1MAPTSTAT3
SCHEMBL17318575 0.83 SMN1; SMN2 (0.50) SMN1; SMN2LMNAALDH1A1MAPTSTAT3
SCHEMBL561638 0.82 NPC1 (0.43) SMN1; SMN2LMNAALDH1A1MAPTSTAT3
SCHEMBL757810 0.80 NPSR1 (0.51) SMN1; SMN2LMNAALDH1A1MAPTSTAT3
SCHEMBL761251 0.80 KDM4C (0.49) SMN1; SMN2LMNAALDH1A1MAPTSTAT3
SCHEMBL756374 0.80 LMNA (0.52) SMN1; SMN2LMNAALDH1A1MAPTSTAT3
SCHEMBL756218 0.80 NPSR1 (0.52) SMN1; SMN2LMNAALDH1A1MAPTSTAT3
SCHEMBL704436 0.78 SMN1; SMN2 (0.65) SMN1; SMN2LMNAALDH1A1MAPTSTAT3

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 9 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
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 SMN1; SMN2 2239/4885LMNA 857/4885ALDH1A1 1857/4885
US-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 SMN1; SMN2 3063/4885LMNA 4198/4885ALDH1A1 447/4885

“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.