SCHEMBL3320848

SCHEMBL3320848

CC(C)(CC(=O)N1CCN(C(=O)c2csc(-c3ccncc3)n2)CC1)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
IRAK4 Q9NWZ3 3/20 0.42
HTR2C P28335 3/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
PIN1 Q13526 2/20 0.38
TBK1 Q9UHD2 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ACKR3 P25106 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL3320841 0.81 HPGD (0.44) HPGDIRAK4HTR2CCNR1CNR2
SCHEMBL3319297 0.76 L3MBTL1 (0.62) ALDH1A1
SCHEMBL3320722 0.76 DPP4 (0.49) HPGDALDH1A1MEN1KMT2A
SCHEMBL3320869 0.73 SCN9A (0.34)
SCHEMBL3321364 0.72 GAA (0.55) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL3322025 0.71 CHRNA4 (0.43) ALDH1A1
SCHEMBL4820539 0.71 HPGD (0.51) HPGDHTR2CCNR1CNR2LMNA
SCHEMBL4820548 0.71 HPGD (0.51) HPGDHTR2CCNR1CNR2LMNA
SCHEMBL3779401 0.71 KDM4E (0.46) HPGDIRAK4CNR1CNR2KDM4E
SCHEMBL3320223 0.71 ALDH1A1 (0.58) MAPTMAPK1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100125075-A1 Antibacterial Agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2010-05-20 US disclosed
US-6846825-B1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2005-01-25 US disclosed
EP-1202968-A2 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2002-05-08 EP disclosed
WO-2001010834-A9 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARM (GB) 2001-08-09 WO disclosed
WO-2001010834-A2 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2001-02-15 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-20100125075-A1 Antibacterial Agents NQO2, DAO, Q6ZSR9 HPGD 1389/4885IRAK4 4561/4885HTR2C 1949/4885

“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.