SCHEMBL3318328

SCHEMBL3318328

CCCCC(CN(O)C=O)C(=O)N1CCN(c2ccc(OC)cc2)C(C)C1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.41
BMP1 P13497 1/20 0.38
ADAMTS5 Q9UNA0 5/20 0.37
MMP2 P08253 1/20 0.36
MMP14 P50281 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL3318334 1.00 CHRM4 (0.41) CHRM4BMP1ADAMTS5MMP2MMP14
SCHEMBL13333296 0.89 MMP3 (0.41) CHRM4BMP1MMP2
SCHEMBL3321294 0.85 L3MBTL1 (0.46) KDM4ELMNAMAPTMAPK1HTT
SCHEMBL3321291 0.85 L3MBTL1 (0.46) KDM4ELMNAMAPTMAPK1HTT
SCHEMBL3320090 0.73 CNR1 (0.51) MMP14LMNAMAPTTSHRHTT
SCHEMBL3320351 0.73 CNR1 (0.50) KDM4ELMNAMAPTMAPK1HTT
SCHEMBL3320089 0.73 CNR1 (0.51) MMP14LMNAMAPTTSHRHTT
SCHEMBL3320349 0.73 CNR1 (0.50) KDM4ELMNAMAPTMAPK1HTT
SCHEMBL3320490 0.73 LMNA (0.48) BMP1LMNAMAPTTSHRMAPK1
SCHEMBL3320488 0.73 LMNA (0.48) BMP1LMNAMAPTTSHRMAPK1

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 CHRM4 3198/4885BMP1 1976/4885ADAMTS5 4829/4885
US-20100125075-A1 Antibacterial Agents NQO2, DAO, Q6ZSR9 CHRM4 3038/4885BMP1 1991/4885ADAMTS5 4827/4885

“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.