SCHEMBL3319624

SCHEMBL3319624

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.50
DAO P14920 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
NAMPT P43490 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE11A Q9HCR9 1/20 0.39
PDE10A Q9Y233 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALPL P05186 1/20 0.38
CFTR P13569 1/20 0.37
PLA2G1B P04054 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
LMNA P02545 2/20 0.36
TACR3 P29371 1/20 0.36
GAA P10253 1/20 0.36
KDM5A P29375 4/20 0.36
PKM P14618 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GRM1 Q13255 1/20 0.35

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
SCHEMBL3320069 0.79 KMT2A (0.50) NAMPTKMT2AALDH1A1
SCHEMBL3319622 0.78 HTR2A (0.47) HTR2ADAOHCAR2NAMPTPDE4B
SCHEMBL3319737 0.78 HTT (0.43) NAMPTMEN1KMT2ALMNAPKM
SCHEMBL21787536 0.76 HTR2A (0.57) HTR2ADAOHCAR2MEN1KMT2A
SCHEMBL3320869 0.76 SCN9A (0.34) NAMPTL3MBTL1
SCHEMBL3319297 0.74 L3MBTL1 (0.62) HTR2APLA2G1BATG4BGAAL3MBTL1
SCHEMBL3320722 0.74 DPP4 (0.49) MEN1KMT2AGAAALDH1A1
SCHEMBL17546291 0.71 HTR2A (0.52) HTR2ADAOHCAR2MEN1KMT2A
SCHEMBL3319619 0.70 MAPT (0.46) LMNAGAAL3MBTL1ALDH1A1
SCHEMBL6261944 0.69 MAPT (0.58) HTR2AMEN1KMT2ALMNATACR3

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 7 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
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 (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 HTR2A 1862/4885DAO 2/4885HCAR2 428/4885
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.