SCHEMBL3319622

SCHEMBL3319622

Cc1cc(C(=O)N2CCN(C(=O)[CH]C(C)(C)C(N)=O)CC2)n[nH]1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.47
DAO P14920 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CFTR P13569 1/20 0.37
PLA2G1B P04054 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE11A Q9HCR9 1/20 0.37
PDE10A Q9Y233 1/20 0.37
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
KDM5A P29375 4/20 0.36
NAMPT P43490 1/20 0.35
ALPL P05186 1/20 0.35
TACR3 P29371 1/20 0.34
VNN1 O95497 1/20 0.34

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
SCHEMBL3320066 0.80 KMT2A (0.51) KMT2A
SCHEMBL3319624 0.78 HTR2A (0.50) HTR2ADAOHCAR2MEN1KMT2A
SCHEMBL3319734 0.78 ALDH1A1 (0.42) MEN1KMT2ALMNA
SCHEMBL21787536 0.76 HTR2A (0.57) HTR2ADAOHCAR2MEN1KMT2A
SCHEMBL3320866 0.76 L3MBTL1 (0.32) GAA
SCHEMBL3319292 0.74 L3MBTL1 (0.62) PLA2G1BATG4BGAANAMPT
SCHEMBL3320718 0.74 CYP2D6 (0.47) MEN1KMT2AGAA
SCHEMBL17546291 0.71 HTR2A (0.52) HTR2ADAOHCAR2MEN1KMT2A
SCHEMBL6261944 0.69 MAPT (0.58) HTR2AMEN1KMT2ALMNATACR3
SCHEMBL3322024 0.69 CHRNA4 (0.43) NAMPT

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-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

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 HTR2A 1835/4885DAO 2/4885HCAR2 427/4885

“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.