SCHEMBL5404673

SCHEMBL5404673

N#CNC(=S)Nc1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.53
NPSR1 Q6W5P4 4/20 0.53
HTT P42858 4/20 0.53
ALOX12 P18054 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
MAPT P10636 6/20 0.52
LMNA P02545 1/20 0.52
KMT2A Q03164 2/20 0.51
RECQL P46063 1/20 0.50
GAA P10253 1/20 0.49
KDM4E B2RXH2 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
MAPK1 P28482 1/20 0.48
NOX1 Q9Y5S8 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
HPGD P15428 1/20 0.46
MEN1 O00255 1/20 0.45

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
SCHEMBL2973297 0.90 MAPT (0.58) ALDH1A1NPSR1HTTSMN1; SMN2MAPT
SCHEMBL6982146 0.89 MAPT (0.56) ALDH1A1NPSR1HTTSMN1; SMN2MAPT
SCHEMBL5407086 0.86 MAPT (0.62) ALDH1A1NPSR1HTTALOX12SMN1; SMN2
SCHEMBL5408431 0.85 IDO1 (0.44) ALDH1A1NPSR1HTTALOX12SMN1; SMN2
SCHEMBL5408821 0.84 MAOB (0.55) ALDH1A1HTTALOX12SMN1; SMN2CYP2C9
SCHEMBL5406834 0.84 ALDH1A1 (0.51) ALDH1A1NPSR1HTTALOX12SMN1; SMN2
SCHEMBL8983529 0.79 HPGD (0.64) ALDH1A1NPSR1HTTSMN1; SMN2CYP2C19
SCHEMBL11833343 0.79 HPGD (0.64) ALDH1A1NPSR1HTTALOX12SMN1; SMN2
SCHEMBL6975678 0.78 HPGD (0.62) ALDH1A1NPSR1HTTSMN1; SMN2CYP2C19
SCHEMBL6921083 0.75 ALDH1A1 (0.81) ALDH1A1NPSR1HTTALOX12SMN1; SMN2

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 ALDH1A1 3023/4885NPSR1 967/4885HTT 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.