SCHEMBL3320718

SCHEMBL3320718

CC(C)([CH]C(=O)N1CCN(C(=O)c2cnccn2)CC1)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.47
HIF1A Q16665 2/20 0.47
CYP3A4 P08684 7/20 0.47
HSD17B10 Q99714 3/20 0.47
USP2 O75604 4/20 0.46
GBA1 P04062 1/20 0.44
CYP1A2 P05177 3/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
GAA P10253 1/20 0.43
CYP2C9 P11712 2/20 0.43
CASP1 P29466 1/20 0.43
DPP4 P27487 1/20 0.42
DPP9 Q86TI2 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL3319734 0.84 ALDH1A1 (0.42) ALDH1A1HPGDMEN1KMT2A
SCHEMBL3319292 0.82 L3MBTL1 (0.62) ALDH1A1GAADPP4DPP9
SCHEMBL5643040 0.79 MAPK1 (0.55) ALDH1A1MEN1KMT2A
SCHEMBL3320722 0.78 DPP4 (0.49) CYP2D6HIF1ACYP3A4HSD17B10USP2
SCHEMBL3320866 0.77 L3MBTL1 (0.32) GAA
SCHEMBL3320841 0.76 HPGD (0.44) ALDH1A1HPGDMEN1KMT2A
SCHEMBL3320066 0.76 KMT2A (0.51) ALDH1A1HPGDKMT2A
SCHEMBL3758802 0.76 CYP3A4 (0.52) CYP2D6HIF1ACYP3A4HSD17B10USP2
SCHEMBL13772554 0.75 CYP3A4 (0.63) CYP2D6HIF1ACYP3A4HSD17B10USP2
SCHEMBL3319622 0.74 HTR2A (0.47) GAAMEN1KMT2A

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 CYP2D6 105/4885HIF1A 1457/4885CYP3A4 1140/4885
US-20100125075-A1 Antibacterial Agents NQO2, DAO, Q6ZSR9 CYP2D6 136/4885HIF1A 1524/4885CYP3A4 1204/4885

“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.