Sugi Predict

Sugi Predict / Compounds / SCHEMBL755378

SCHEMBL755378

SCHEMBL755378

Cc1cc([N+](=O)[O-])ccc1Cn1ccc(NC(=O)c2c(F)cccc2F)n1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 2/20 0.58
▸ ORAI1 Q96D31 2/20 0.58
▸ ORAI3 Q9BRQ5 1/20 0.58
▸ MAPT P10636 4/20 0.54
▸ GAA P10253 2/20 0.54
▸ LMNA P02545 8/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ SMN1; SMN2 Q16637 7/20 0.52
▸ POLB P06746 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ NFKB2 Q00653 1/20 0.45
▸ RELA Q04206 1/20 0.45
▸ EGFR P00533 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ HTT P42858 1/20 0.43

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
SCHEMBL756521 0.92 STIM1 (0.55) STIM1ORAI1ORAI3MAPTGAA
SCHEMBL758529 0.85 STIM1 (0.74) STIM1ORAI1ORAI3MAPTGAA
SCHEMBL757116 0.85 STIM1 (0.66) STIM1ORAI1ORAI3MAPTGAA
SCHEMBL706934 0.84 STIM1 (0.62) STIM1ORAI1ORAI3MAPTGAA
SCHEMBL755780 0.84 STIM1 (0.62) STIM1ORAI1ORAI3MAPTGAA
SCHEMBL30096619 0.84 STIM1 (0.62) STIM1ORAI1ORAI3MAPTGAA
SCHEMBL757452 0.82 STIM1 (0.61) STIM1ORAI1ORAI3MAPTGAA
SCHEMBL758488 0.79 STIM1 (0.71) STIM1ORAI1ORAI3MAPTGAA
SCHEMBL758439 0.79 STIM1 (0.55) STIM1ORAI1ORAI3MAPTGAA
SCHEMBL755866 0.78 STIM1 (0.59) STIM1ORAI1ORAI3MAPTGAA

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 8 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
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

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.