SCHEMBL6489665

SCHEMBL6489665

c1ccc(CSc2nnc(-c3cccnc3)s2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
PKM P14618 1/20 0.60
RAB9A P51151 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
NPC1 O15118 3/20 0.54
GAA P10253 2/20 0.54
MAPT P10636 2/20 0.54
GSK3B P49841 1/20 0.54
ALDH1A1 P00352 4/20 0.53
THRB P10828 2/20 0.53
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
TERT O14746 6/20 0.50
KDM4E B2RXH2 2/20 0.50
ATM Q13315 1/20 0.50
LMNA P02545 3/20 0.49
GALR3 O60755 1/20 0.49
NR2F2 P24468 1/20 0.49
HPGD P15428 1/20 0.48

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
SCHEMBL6492979 0.88 MEN1 (0.59) MEN1KMT2APKMRAB9ASMN1; SMN2
SCHEMBL6490858 0.80 TERT (0.77) MEN1KMT2ARAB9AMAPTGSK3B
SCHEMBL3263155 0.77 LMNA (0.72) MEN1KMT2APKMRAB9ASMN1; SMN2
SCHEMBL12993519 0.75 ALDH1A1 (0.55) MEN1KMT2APKMRAB9ASMN1; SMN2
SCHEMBL8877644 0.75 LMNA (0.62) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL1424931 0.75 KDM4E (0.75) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL10673473 0.72 GAA (0.51) KMT2ARAB9ASMN1; SMN2NPC1GAA
SCHEMBL10409512 0.72 SMN1; SMN2 (0.54) MEN1KMT2APKMRAB9ASMN1; SMN2
SCHEMBL11117696 0.72 PKM (0.47) MEN1KMT2APKMGSK3BALDH1A1
SCHEMBL28419773 0.72 MEN1 (0.59) MEN1KMT2AMAPTGSK3BALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6894054-B2 Heterocyclic inhibitors of glycine transporter 2 TELIK, INC. (US) 2005-05-17 US claimed
EP-1357913-A1 HETEROCYCLIC INHIBITORS OF GLYCINE TRANSPORTER 2 TELIK, INC. (US) 2003-11-05 EP claimed
US-20030073726-A1 Heterocyclic inhibitors of glycine transporter 2 TELIK, INC. 2003-04-17 US claimed
WO-2002064135-A1 HETEROCYCLIC INHIBITORS OF GLYCINE TRANSPORTER 2 TELIK, INC. (US) 2002-08-22 WO claimed
US-6894054-B2 Heterocyclic inhibitors of glycine transporter 2 TELIK, INC. (US) 2005-05-17 US disclosed
EP-1357913-A1 HETEROCYCLIC INHIBITORS OF GLYCINE TRANSPORTER 2 TELIK, INC. (US) 2003-11-05 EP disclosed
US-20030073726-A1 Heterocyclic inhibitors of glycine transporter 2 TELIK, INC. 2003-04-17 US disclosed
WO-2002064135-A1 HETEROCYCLIC INHIBITORS OF GLYCINE TRANSPORTER 2 TELIK, INC. (US) 2002-08-22 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-20030073726-A1 Heterocyclic inhibitors of glycine transporter 2 SLC1A2, SLC1A1, SLC1A3 MEN1 2373/4885KMT2A 1157/4885PKM 1392/4885

“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.