SCHEMBL3320841

SCHEMBL3320841

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
HTR2C P28335 7/20 0.41
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
IRAK4 Q9NWZ3 2/20 0.39
TBK1 Q9UHD2 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 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
CHEK1 O14757 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
SCHEMBL3320848 0.81 HPGD (0.44) HPGDHTR2CCNR1CNR2LMNA
SCHEMBL3319292 0.76 L3MBTL1 (0.62) MAPK1ALDH1A1
SCHEMBL3320718 0.76 CYP2D6 (0.47) HPGDALDH1A1MEN1KMT2A
SCHEMBL3320866 0.73 L3MBTL1 (0.32)
SCHEMBL5649580 0.72 GAA (0.55) LMNAMAPTALDH1A1KMT2A
SCHEMBL4820539 0.71 HPGD (0.51) HPGDHTR2CCNR1CNR2LMNA
SCHEMBL4820548 0.71 HPGD (0.51) HPGDHTR2CCNR1CNR2LMNA
SCHEMBL3322024 0.71 CHRNA4 (0.43) ALDH1A1
SCHEMBL5643040 0.71 MAPK1 (0.55) LMNAMAPTMAPK1ALDH1A1MEN1
SCHEMBL3319734 0.70 ALDH1A1 (0.42) HPGDLMNAMAPTALDH1A1MEN1

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-20100125075-A1 Antibacterial Agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2010-05-20 US disclosed
US-7186719-B2 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS (GB) 2007-03-06 US disclosed
US-20050065095-A1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2005-03-24 US disclosed
US-6846825-B1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2005-01-25 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-20050065095-A1 Antibacterial agents NQO2, DAO, Q6ZSR9 HPGD 1305/4885HTR2C 1877/4885CNR1 1225/4885
US-20100125075-A1 Antibacterial Agents NQO2, DAO, Q6ZSR9 HPGD 1389/4885HTR2C 1949/4885CNR1 1221/4885

“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.