SCHEMBL6416668

SCHEMBL6416668

N=C1NC(=O)/C(=C\c2ccc(C(=O)O)cc2)S1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRE11 P49959 1/20 0.70
MYC P01106 1/20 0.69
IL1RN P18510 1/20 0.69
ERAP1 Q9NZ08 1/20 0.69
KMT2A Q03164 3/20 0.66
MEN1 O00255 2/20 0.66
CDK2 P24941 2/20 0.63
XDH P47989 3/20 0.62
POLB P06746 2/20 0.61
TDP1 Q9NUW8 2/20 0.58
CHRM5 P08912 1/20 0.54
GPR35 Q9HC97 1/20 0.54
PIM1 P11309 2/20 0.54
PIM3 Q86V86 1/20 0.53
PIM2 Q9P1W9 1/20 0.53
METAP1 P53582 1/20 0.53
GSK3B P49841 2/20 0.52
GSK3A P49840 1/20 0.52
HPGD P15428 2/20 0.51
AKR1B1 P15121 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
SCHEMBL6416669 1.00 MRE11 (0.70) MRE11MYCIL1RNERAP1KMT2A
SCHEMBL5672232 0.87 MYC (0.77) MYCIL1RNERAP1KMT2ATDP1
SCHEMBL212025 0.87 MYC (0.77) MYCIL1RNERAP1KMT2ATDP1
SCHEMBL212026 0.87 MYC (0.77) MYCIL1RNERAP1KMT2ATDP1
SCHEMBL6415318 0.83 GSK3A (0.63) MRE11MYCIL1RNERAP1KMT2A
SCHEMBL6415312 0.83 GSK3A (0.63) MRE11MYCIL1RNERAP1KMT2A
Mirin SCHEMBL21296287 0.83 MRE11 (1.00) MRE11KMT2AMEN1XDHPOLB
Mirin SCHEMBL15421606 0.83 MRE11 (1.00) MRE11KMT2AMEN1XDHPOLB
Mirin SCHEMBL15421605 0.83 MRE11 (1.00) MRE11KMT2AMEN1XDHPOLB
SCHEMBL22971852 0.82 XDH (0.75) MRE11KMT2AMEN1XDHPOLB

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 4 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
WO-2003081209-A2 IDENTIFICATION OF LIGANDS FOR A RECEPTOR FAMILY AND RELATED METHODS TRIAD THERAPEUTICS, INC. (US) 2003-10-02 WO disclosed
US-20030180797-A1 Identification of ligands for a receptor family and related methods TRIAD THERAPEUTICS, INC. 2003-09-25 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 MRE11 3352/4885MYC 892/4885IL1RN 343/4885
US-20040009527-A1 Common ligand mimics: pseudothiohydantoins FGFR3, BID, FLT3 MRE11 3352/4885MYC 892/4885IL1RN 343/4885

“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.