SCHEMBL6415601

SCHEMBL6415601

N=C1NC(=O)/C(=C/c2cccnc2)S1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.74
▸ GAA P10253 1/20 0.65
▸ L3MBTL1 Q9Y468 1/20 0.65
▸ MAPT P10636 6/20 0.61
▸ TDP1 Q9NUW8 1/20 0.58
▸ MEN1 O00255 4/20 0.57
▸ KMT2A Q03164 4/20 0.57
▸ HPGD P15428 2/20 0.57
▸ NPSR1 Q6W5P4 4/20 0.57
▸ POLB P06746 2/20 0.57
▸ PIP4K2B P78356 2/20 0.56
▸ MRE11 P49959 1/20 0.56
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ PTGS2 P35354 1/20 0.54
▸ XDH P47989 1/20 0.53
▸ PIP4K2A P48426 1/20 0.53
▸ RECQL P46063 1/20 0.53

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
SCHEMBL6415604 1.00 GSK3B (0.74) GSK3BGAAL3MBTL1MAPTTDP1
SCHEMBL23094695 0.85 GSK3B (1.00) GSK3BGAAL3MBTL1MAPTTDP1
SCHEMBL8307311 0.82 GSK3B (0.74) GSK3BGAAL3MBTL1MAPTTDP1
SCHEMBL8307310 0.82 GSK3B (0.74) GSK3BGAAL3MBTL1MAPTTDP1
SCHEMBL23094478 0.81 CISD1 (0.73) GSK3BTDP1MEN1KMT2APOLB
SCHEMBL22971852 0.81 XDH (0.75) GSK3BGAAMAPTTDP1MEN1
SCHEMBL8186384 0.73 AKR1B1 (0.74) GSK3BL3MBTL1MAPTTDP1MEN1
SCHEMBL14860974 0.73 TDP1 (1.00) GSK3BGAAL3MBTL1MAPTTDP1
SCHEMBL14860978 0.73 TDP1 (1.00) GSK3BGAAL3MBTL1MAPTTDP1
SCHEMBL8186386 0.73 AKR1B1 (0.74) GSK3BL3MBTL1MAPTTDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050019825-A9 Common ligand mimics: pseudothiohydantoins TRIAD THERAPEUTICS, INC. 2005-01-27 — — US disclosed
US-20040009527-A1 Common ligand mimics: pseudothiohydantoins DONG QING (US) 2004-01-15 — — 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 (2 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-20050019825-A9 Common ligand mimics: pseudothiohydantoins FGFR3, BID, FLT3 GSK3B 3537/4885GAA 4496/4885L3MBTL1 2681/4885
US-20040009527-A1 Common ligand mimics: pseudothiohydantoins FGFR3, BID, FLT3 GSK3B 3537/4885GAA 4496/4885L3MBTL1 2681/4885

“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.

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