SCHEMBL880098

SCHEMBL880098

C=CCN(CC=C)C1(N)CN(S(=O)(=O)CCc2cccc3ccccc23)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAOK1 Q7L7X3 1/20 0.41
TACR1 P25103 1/20 0.39
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NQO2 P16083 1/20 0.36
CA2 P00918 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
MTNR1A P48039 1/20 0.33
GRM2 Q14416 1/20 0.33
GRM3 Q14832 1/20 0.33
ADRA1D P25100 3/20 0.33
ADRA1A P35348 3/20 0.33
ADRA1B P35368 3/20 0.33

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
SCHEMBL13553918 0.84 TAOK1 (0.39) TAOK1TACR1MAPTKDM4EMEN1
SCHEMBL13553917 0.76 TAOK1 (0.44) TAOK1TACR1MAPTNQO2CA2
SCHEMBL851280 0.76 TAOK1 (0.48) TAOK1TACR1MAPTMEN1KMT2A
SCHEMBL13555067 0.74 TACR1 (0.52) TAOK1TACR1MAPTMEN1KMT2A
SCHEMBL880097 0.71 TAOK1 (0.49) TAOK1TACR1MAPTMEN1KMT2A
SCHEMBL848794 0.70 TACR1 (0.48) TAOK1TACR1MAPTNQO2CA2
SCHEMBL880100 0.69 TAOK1 (0.50) TAOK1TACR1NQO2CA2MTNR1A
SCHEMBL850304 0.69 TAOK1 (0.53) TAOK1TACR1MAPTMEN1KMT2A
SCHEMBL5513121 0.65 CA2 (0.57) NQO2CA2MTNR1A
SCHEMBL18320650 0.65 OPRK1 (0.57) MAPTKDM4EMEN1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 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 (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-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 TAOK1 915/4885TACR1 141/4885MAPT 3000/4885

“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.