SCHEMBL2746964

SCHEMBL2746964

CN(C)Cc1ccccc1Sc1ccc(OBO)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 14/20 0.56
SLC6A2 P23975 10/20 0.48
SLC6A3 Q01959 7/20 0.48
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL1645487 0.80 SLC6A4 (0.64) SLC6A4SLC6A2SLC6A3TDP1MAPT
SCHEMBL1644437 0.80 SLC6A4 (0.64) SLC6A4SLC6A2SLC6A3TDP1LMNA
SCHEMBL1645176 0.80 SLC6A4 (0.65) SLC6A4SLC6A2SLC6A3TDP1MAPT
SCHEMBL5833101 0.79 SLC6A4 (0.63) SLC6A4SLC6A2SLC6A3TDP1LMNA
SCHEMBL236212 0.79 SLC6A4 (0.64) SLC6A4SLC6A2SLC6A3TDP1LMNA
SCHEMBL1644221 0.79 SLC6A4 (0.69) SLC6A4SLC6A2SLC6A3TDP1LMNA
SCHEMBL1645157 0.77 SLC6A4 (0.64) SLC6A4SLC6A2SLC6A3TDP1LMNA
SCHEMBL1644194 0.77 SLC6A4 (0.65) SLC6A4SLC6A2SLC6A3TDP1LMNA
SCHEMBL1644432 0.76 SLC6A4 (0.67) SLC6A4SLC6A2SLC6A3TDP1MAPT
SCHEMBL1645804 0.76 SLC6A4 (0.66) SLC6A4SLC6A2SLC6A3TDP1LMNA

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-20120004404-A1 RADIOLABELLING METHODS HAMMERSMITH IMANET LIMITED (GB) 2012-01-05 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-20120004404-A1 RADIOLABELLING METHODS ARFGEF1, TMEM14C, PIGO SLC6A4 766/4885SLC6A2 274/4885SLC6A3 606/4885

“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.