Sugi Predict

Sugi Predict / Compounds / SCHEMBL757130

SCHEMBL757130

SCHEMBL757130

O=C(Nc1ccn(Cc2ccc(Oc3ccccc3)cc2C(F)(F)F)n1)c1ccccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 2/20 0.52
▸ ORAI1 Q96D31 2/20 0.52
▸ ORAI3 Q9BRQ5 1/20 0.52
▸ CACNA1G O43497 1/20 0.44
▸ CACNA1H O95180 1/20 0.44
▸ CACNA1I Q9P0X4 1/20 0.44
▸ SMN1; SMN2 Q16637 6/20 0.43
▸ LMNA P02545 4/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ MAPT P10636 2/20 0.43
▸ STAT3 P40763 1/20 0.43
▸ PTGER1 P34995 1/20 0.43
▸ NFKB1 P19838 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ NPSR1 Q6W5P4 3/20 0.41
▸ HTT P42858 2/20 0.41
▸ KDM4E B2RXH2 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
SCHEMBL758399 0.92 STIM1 (0.60) STIM1ORAI1ORAI3CACNA1GCACNA1H
SCHEMBL755860 0.90 STIM1 (0.60) STIM1ORAI1ORAI3CACNA1GCACNA1H
SCHEMBL758805 0.90 STIM1 (0.53) STIM1ORAI1ORAI3CACNA1GCACNA1H
SCHEMBL757152 0.89 STIM1 (0.52) STIM1ORAI1ORAI3CACNA1GCACNA1H
SCHEMBL758509 0.87 STIM1 (0.57) STIM1ORAI1ORAI3CACNA1GCACNA1H
SCHEMBL708750 0.85 STIM1 (0.55) STIM1ORAI1ORAI3CACNA1GCACNA1H
SCHEMBL757450 0.85 STIM1 (0.53) STIM1ORAI1ORAI3CACNA1GCACNA1H
SCHEMBL755388 0.85 STIM1 (0.73) STIM1ORAI1ORAI3CACNA1GCACNA1H
SCHEMBL30096567 0.82 STIM1 (0.52) STIM1ORAI1ORAI3SMN1; SMN2LMNA
SCHEMBL755493 0.82 STIM1 (0.52) STIM1ORAI1ORAI3SMN1; SMN2LMNA

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-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 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.