SCHEMBL3317757

SCHEMBL3317757

CCCCC(CN(O)C=O)C(=O)N1CCN(c2cccc(Cl)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
LMNA P02545 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
MAPK1 P28482 1/20 0.53
RECQL P46063 1/20 0.53
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HTR1A P08908 2/20 0.46
HTR7 P34969 2/20 0.46
HTR2A P28223 1/20 0.46
HTR6 P50406 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA9 Q16790 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL3317761 1.00 TSHR (0.53) TSHRLMNANPSR1MAPK1RECQL
SCHEMBL3320349 0.89 CNR1 (0.50) LMNAMAPK1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL3320351 0.89 CNR1 (0.50) LMNAMAPK1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL3320488 0.89 LMNA (0.48) TSHRLMNANPSR1MAPK1RECQL
SCHEMBL3320490 0.89 LMNA (0.48) TSHRLMNANPSR1MAPK1RECQL
SCHEMBL3321488 0.88 MAPT (0.49) TSHRLMNAMAPK1RECQLALDH1A1
SCHEMBL3321485 0.88 MAPT (0.49) TSHRLMNAMAPK1RECQLALDH1A1
SCHEMBL3320090 0.82 CNR1 (0.51) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL3320089 0.82 CNR1 (0.51) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL3320188 0.82 MAPT (0.49) LMNAMAPK1ALDH1A1SMN1; SMN2KDM4E

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 TSHR 947/4885LMNA 2462/4885NPSR1 1108/4885
US-20100125075-A1 Antibacterial Agents NQO2, DAO, Q6ZSR9 TSHR 873/4885LMNA 2435/4885NPSR1 1036/4885

“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.