SCHEMBL756530

SCHEMBL756530

O=C(N(c1ccn(Cc2ccc(OCc3ccccn3)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
HTR2A P28223 4/20 0.38
HTR2C P28335 4/20 0.38
HTR2B P41595 4/20 0.38
ALOX5AP P20292 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PARP10 Q53GL7 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
STAT3 P40763 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
POLQ O75417 1/20 0.33
MAPK14 Q16539 2/20 0.32

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
SCHEMBL757059 0.89 SMN1; SMN2 (0.35) HTR2AHTR2CHTR2BALOX5APSMN1; SMN2
SCHEMBL756041 0.88 STIM1 (0.42) STIM1ORAI1ORAI3SMN1; SMN2NPC1
SCHEMBL3051682 0.87 STIM1 (0.41) STIM1ORAI1ORAI3SMN1; SMN2NPC1
SCHEMBL759111 0.81 STIM1 (0.40) STIM1ORAI1ORAI3POLQ
SCHEMBL7893849 0.79 STIM1 (0.69) STIM1ORAI1ORAI3HTR2AHTR2C
Trifluoroacetic Acid SCHEMBL756529 0.78 STIM1 (0.65) STIM1ORAI1ORAI3HTR2AHTR2C
SCHEMBL758508 0.69 STIM1 (0.54) STIM1ORAI1ORAI3SMN1; SMN2NPC1
SCHEMBL757315 0.68 STIM1 (0.73) STIM1ORAI1ORAI3SMN1; SMN2NPC1
SCHEMBL30096587 0.68 STIM1 (0.73) STIM1ORAI1ORAI3SMN1; SMN2NPC1
SCHEMBL756524 0.67 STIM1 (0.52) 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.