SCHEMBL5407086

SCHEMBL5407086

N#CNC(=S)Nc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.62
ALDH1A1 P00352 8/20 0.62
HTT P42858 7/20 0.62
KMT2A Q03164 6/20 0.62
MEN1 O00255 3/20 0.62
ALOX12 P18054 9/20 0.59
HPGD P15428 2/20 0.59
GAA P10253 3/20 0.57
EPHX1 P07099 2/20 0.57
POLB P06746 1/20 0.57
LMNA P02545 7/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
NPSR1 Q6W5P4 2/20 0.54
TP53 P04637 1/20 0.54
PLA2G1B P04054 1/20 0.51
ATG4B Q9Y4P1 1/20 0.51

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
SCHEMBL5404673 0.86 ALDH1A1 (0.53) MAPTALDH1A1HTTKMT2AMEN1
SCHEMBL5408821 0.86 MAOB (0.55) MAPTALDH1A1HTTKMT2AMEN1
SCHEMBL5406834 0.86 ALDH1A1 (0.51) MAPTALDH1A1HTTKMT2AMEN1
SCHEMBL4000388 0.84 ALDH1A1 (0.64) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL6578291 0.83 ALDH1A1 (0.80) MAPTALDH1A1HTTKMT2AMEN1
SCHEMBL5412083 0.81 ALDH1A1 (0.50) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL8983566 0.81 MEN1 (0.74) MAPTALDH1A1KMT2AMEN1ALOX12
SCHEMBL5408431 0.81 IDO1 (0.44) MAPTALDH1A1HTTKMT2AMEN1
SCHEMBL7028772 0.81 KMT2A (0.77) MAPTALDH1A1HTTKMT2AMEN1
SCHEMBL8983529 0.80 HPGD (0.64) MAPTALDH1A1HTTKMT2AMEN1

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-7202269-B2 GlyT2 modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-10 US disclosed
US-20050119245-A1 GlyT2 modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-02 US disclosed
WO-2005044810-A1 GLYT2 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-05-19 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-20050119245-A1 GlyT2 modulators GLRB, GLRA1, GLRA2 MAPT 450/4885ALDH1A1 3023/4885HTT 1038/4885

“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.