SCHEMBL757593

SCHEMBL757593

O=C(Nc1ccn(Cc2ccc(O)cc2C(F)(F)F)n1)c1c(F)cccc1F.[NaH]

nearest known ligand 0.98

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 2/20 0.98
ORAI1 Q96D31 2/20 0.98
ORAI3 Q9BRQ5 1/20 0.98
SMN1; SMN2 Q16637 10/20 0.46
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
LMNA P02545 7/20 0.45
NPSR1 Q6W5P4 4/20 0.45
HTT P42858 3/20 0.45
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
STAT3 P40763 2/20 0.42
HPGD P15428 2/20 0.42
GAA P10253 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL705705 0.99 STIM1 (1.00) STIM1ORAI1ORAI3SMN1; SMN2NPC1
SCHEMBL29420774 0.99 STIM1 (1.00) STIM1ORAI1ORAI3SMN1; SMN2NPC1
SCHEMBL757594 0.98 STIM1 (0.98) STIM1ORAI1ORAI3SMN1; SMN2NPC1
SCHEMBL757322 0.91 STIM1 (0.85) STIM1ORAI1ORAI3SMN1; SMN2NPC1
SCHEMBL758441 0.88 STIM1 (0.80) STIM1ORAI1ORAI3SMN1; SMN2NPC1
SCHEMBL30096549 0.88 STIM1 (0.80) STIM1ORAI1ORAI3SMN1; SMN2NPC1
SCHEMBL760584 0.88 STIM1 (0.80) STIM1ORAI1ORAI3SMN1; SMN2NPC1
SCHEMBL705056 0.88 STIM1 (0.80) STIM1ORAI1ORAI3SMN1; SMN2NPC1
SCHEMBL30096575 0.88 STIM1 (0.80) STIM1ORAI1ORAI3SMN1; SMN2NPC1
SCHEMBL30096572 0.88 STIM1 (0.80) STIM1ORAI1ORAI3SMN1; SMN2NPC1

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 3 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-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

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 STIM1 33/4885ORAI1 1/4885ORAI3 25/4885
US-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 STIM1 2564/4885ORAI1 3127/4885ORAI3 2440/4885

“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.