SCHEMBL756041

SCHEMBL756041

O=C(N(c1ccn(Cc2ccc(OCc3ccncc3)cc2C(F)(F)F)n1)c1c(F)cccc1F)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 2/20 0.42
ORAI1 Q96D31 2/20 0.42
ORAI3 Q9BRQ5 1/20 0.42
SLC2A1 P11166 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
AR P10275 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
STAT3 P40763 1/20 0.36
S1PR1 P21453 3/20 0.34
S1PR5 Q9H228 3/20 0.34
PRKX P51817 1/20 0.34
IKBKE Q14164 1/20 0.34
PTGER1 P34995 1/20 0.34
F10 P00742 3/20 0.34

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
SCHEMBL3051682 0.92 STIM1 (0.41) STIM1ORAI1ORAI3SMN1; SMN2NPC1
SCHEMBL756530 0.88 STIM1 (0.42) STIM1ORAI1ORAI3SMN1; SMN2NPC1
SCHEMBL759111 0.84 STIM1 (0.40) STIM1ORAI1ORAI3ARMKNK2
SCHEMBL10241254 0.79 STIM1 (0.70) STIM1ORAI1ORAI3SLC2A1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL756040 0.78 STIM1 (0.66) STIM1ORAI1ORAI3SMN1; SMN2NPC1
SCHEMBL757059 0.77 SMN1; SMN2 (0.35) SMN1; SMN2NPC1LMNAHTTRAB9A
SCHEMBL7893481 0.72 STIM1 (0.67) STIM1ORAI1ORAI3SMN1; SMN2NPC1
SCHEMBL30096587 0.72 STIM1 (0.73) STIM1ORAI1ORAI3SMN1; SMN2NPC1
SCHEMBL757315 0.72 STIM1 (0.73) STIM1ORAI1ORAI3SMN1; SMN2NPC1
Trifluoroacetic Acid SCHEMBL3051681 0.71 STIM1 (0.63) 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.