SCHEMBL13554244

SCHEMBL13554244

[2H]C([2H])([2H])C([2H])([2H])Oc1cc(Br)ccc1F

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.33
AAK1 Q2M2I8 2/20 0.32
HTT P42858 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPK1 P28482 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CCR5 P51681 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPT P10636 1/20 0.30
KAT6A Q92794 1/20 0.30

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
SCHEMBL2854732 0.78 HTT (0.49) HTTALDH1A1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL13554245 0.76 ENPP2 (0.33) HTT
SCHEMBL981866 0.75 CYP3A4 (0.39) SLC6A4HTTTDP1L3MBTL1MAPT
SCHEMBL1091776 0.75 HPGD (0.51) HTTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL14954870 0.74 SLC5A2 (0.39) SLC6A4CCR5
SCHEMBL15057756 0.74 AAK1 (0.42) AAK1ALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL427426 0.74 KDR (0.40) SLC6A4CCR5TDP1L3MBTL1
SCHEMBL23364707 0.73 AAK1 (0.38) SLC6A4AAK1HTTALDH1A1MAPK1
SCHEMBL29932935 0.73 AAK1 (0.38) SLC6A4AAK1HTTALDH1A1MAPK1
SCHEMBL4311584 0.73 HTR2A (0.39) SLC6A4RAB9ASMN1; SMN2CCR5

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 SLC6A4 165/4885AAK1 2180/4885HTT 1584/4885

“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.