SCHEMBL952518

SCHEMBL952518

O=S(=O)(c1ccccc1)n1cccc1CNc1cc(-c2nnn[nH]2)ccc1F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACLY P53396 3/20 0.36
RAPGEF4 Q8WZA2 4/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
MAPT P10636 1/20 0.31
HTR6 P50406 8/20 0.31
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
HTR7 P34969 1/20 0.31

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
SCHEMBL2681637 0.73 PTGDR2 (0.45) PTGDR2
SCHEMBL949966 0.70 MC5R (0.36) PTGDR2MAPT
SCHEMBL951448 0.66 PTGDR2 (0.40) PTGDR2
SCHEMBL1580251 0.64 HTR6 (0.33) HTR6HTR1ADRD2HTR2AHTR7
Hydrochloric Acid SCHEMBL1156827 0.63 HTR6 (0.32) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL954665 0.62 KDM4E (0.41) MAPT
SCHEMBL21999731 0.61 ACLY (0.58) ACLY
SCHEMBL10466733 0.60 RAPGEF4 (0.76) RAPGEF4PTGDR2HTR6
SCHEMBL9902100 0.60 RAPGEF4 (0.53) RAPGEF4PTGDR2HTR6HTR1AHTR7
SCHEMBL27577523 0.60 RAPGEF4 (0.53) RAPGEF4PTGDR2HTR6

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2454243-A2 TETRAZOLE DERIVATIVES Merck Serono SA (CH) 2012-05-23 EP disclosed
US-20120115869-A1 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2012-05-10 US disclosed
US-20120115869-A1 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2012-05-10 US disclosed
US-20120115869-A1 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2012-05-10 US disclosed
WO-2011006935-A2 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2011-01-20 WO disclosed
WO-2011006935-A2 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2011-01-20 WO 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 (1 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-20120115869-A1 TETRAZOLE DERIVATIVES TSLP, IL5, CMA1 ACLY 4168/4885RAPGEF4 4358/4885PTGDR2 548/4885

“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.