SCHEMBL5408431

SCHEMBL5408431

N#CNC(=S)Nc1ccc(Oc2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.44
FNTA P49354 2/20 0.43
FNTB P49356 2/20 0.43
HSP90AA1 P07900 1/20 0.43
ALDH1A1 P00352 7/20 0.41
ALOX12 P18054 5/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
HPGD P15428 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 5/20 0.41
HTT P42858 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
GAA P10253 3/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
KMO O15229 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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 0.85 ALDH1A1 (0.53) ALDH1A1ALOX12CYP2C9CYP2C19HPGD
SCHEMBL4037799 0.84 IDO1 (0.62) IDO1ALDH1A1ALOX12MAPTHTT
SCHEMBL5407086 0.81 MAPT (0.62) ALDH1A1ALOX12HPGDMAPTHTT
SCHEMBL5406834 0.80 ALDH1A1 (0.51) ALDH1A1ALOX12CYP2C9CYP2C19HPGD
SCHEMBL5408821 0.80 MAOB (0.55) IDO1ALDH1A1ALOX12CYP2C9CYP2C19
SCHEMBL2973297 0.75 MAPT (0.58) ALDH1A1MAPTHTTGAALMNA
SCHEMBL8983529 0.74 HPGD (0.64) ALDH1A1CYP2C19HPGDMAPTHTT
SCHEMBL6982146 0.74 MAPT (0.56) ALDH1A1MAPTHTTGAALMNA
SCHEMBL6975678 0.73 HPGD (0.62) ALDH1A1CYP2C19HPGDMAPTHTT
SCHEMBL11397286 0.73 FNTA (0.57) FNTAFNTBHSP90AA1ALDH1A1HPGD

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 IDO1 1570/4885FNTA 279/4885FNTB 206/4885

“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.