SCHEMBL758338

SCHEMBL758338

O=C(Nc1ccn(Cc2cc(OCc3ccccc3)ccc2Cl)n1)c1c(F)cccc1F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.59
LMNA P02545 5/20 0.59
NPSR1 Q6W5P4 5/20 0.59
NPC1 O15118 4/20 0.59
RAB9A P51151 4/20 0.59
HTT P42858 2/20 0.59
ALDH1A1 P00352 4/20 0.57
STAT3 P40763 2/20 0.57
HPGD P15428 2/20 0.57
MAPT P10636 2/20 0.57
PTGER1 P34995 4/20 0.55
STIM1 Q13586 2/20 0.54
ORAI1 Q96D31 2/20 0.54
ORAI3 Q9BRQ5 1/20 0.54
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53

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
SCHEMBL755923 0.93 SMN1; SMN2 (0.59) SMN1; SMN2LMNANPSR1NPC1RAB9A
SCHEMBL7893967 0.89 STIM1 (0.52) SMN1; SMN2LMNANPSR1NPC1RAB9A
SCHEMBL757185 0.88 SMN1; SMN2 (0.59) SMN1; SMN2LMNANPSR1NPC1RAB9A
SCHEMBL754976 0.86 STIM1 (0.53) SMN1; SMN2LMNANPSR1NPC1RAB9A
Trifluoroacetic Acid SCHEMBL757058 0.86 STIM1 (0.52) SMN1; SMN2LMNANPSR1NPC1RAB9A
SCHEMBL758366 0.86 STIM1 (0.56) SMN1; SMN2LMNANPSR1NPC1RAB9A
SCHEMBL757315 0.86 STIM1 (0.73) SMN1; SMN2LMNANPSR1NPC1RAB9A
SCHEMBL30096587 0.86 STIM1 (0.73) SMN1; SMN2LMNANPSR1NPC1RAB9A
SCHEMBL757529 0.86 STIM1 (0.52) SMN1; SMN2LMNANPSR1NPC1RAB9A
SCHEMBL760701 0.86 STIM1 (0.52) SMN1; SMN2LMNANPSR1NPC1RAB9A

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 SMN1; SMN2 2239/4885LMNA 857/4885NPSR1 1293/4885
US-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 SMN1; SMN2 3063/4885LMNA 4198/4885NPSR1 1288/4885

“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.