SCHEMBL8957185

SCHEMBL8957185

CCCC(=O)NC(Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.45
ITGA2B P08514 7/20 0.45
SLC6A5 Q9Y345 1/20 0.42
FAAH O00519 2/20 0.38
PIN1 Q13526 2/20 0.38
CPB2 Q96IY4 2/20 0.37
CPB1 P15086 1/20 0.37
NOD1 Q9Y239 1/20 0.37
ACE P12821 1/20 0.36
PSMB5 P28074 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
SCHEMBL4295456 1.00 ITGB3 (0.45) ITGB3ITGA2BSLC6A5FAAHPIN1
SCHEMBL8957242 0.92 SLC6A5 (0.48) ITGB3ITGA2BSLC6A5FAAHPIN1
SCHEMBL8957248 0.92 SLC6A5 (0.48) ITGB3ITGA2BSLC6A5FAAHPIN1
SCHEMBL9664611 0.91 SLC6A5 (0.53) ITGB3ITGA2BSLC6A5FAAHCPB2
SCHEMBL9664622 0.91 SLC6A5 (0.53) ITGB3ITGA2BSLC6A5FAAHCPB2
SCHEMBL19138207 0.90 SLC6A5 (0.54) ITGB3ITGA2BSLC6A5FAAHNOD1
SCHEMBL19138238 0.90 SLC6A5 (0.54) ITGB3ITGA2BSLC6A5FAAHNOD1
SCHEMBL9664377 0.90 SLC6A5 (0.54) ITGB3ITGA2BSLC6A5FAAHNOD1
SCHEMBL20956613 0.90 SLC6A5 (0.54) ITGB3ITGA2BSLC6A5FAAHNOD1
SCHEMBL19138227 0.90 SLC6A5 (0.54) ITGB3ITGA2BSLC6A5FAAHNOD1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902362-B2 DNA threading intercalators AGENCY FOR SCIENCE, TECHNOLOGY & RESEARCH (SG) 2011-03-08 US disclosed
US-7902362-B2 DNA threading intercalators AGENCY FOR SCIENCE, TECHNOLOGY & RESEARCH (SG) 2011-03-08 US disclosed
US-20090233289-A1 Novel DNA threading intercalators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2009-09-17 US disclosed
US-20090233289-A1 Novel DNA threading intercalators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2009-09-17 US disclosed
US-7479557-B2 DNA threading intercalators AGENCY FOR SCIENCE, TECHNOLOGY +RESEARCH (SG) 2009-01-20 US disclosed
US-7479557-B2 DNA threading intercalators AGENCY FOR SCIENCE, TECHNOLOGY +RESEARCH (SG) 2009-01-20 US disclosed
EP-0536262-A4 SUBSTITUTED HISTIDINES SMITHKLINE BEECHAM CORP (US) 1996-08-14 EP disclosed
EP-0561905-A1 USE OF ANGIOTENSIN II RECEPTOR ANTAGONISTS IN THE TREATMENT OF MACULAR DEGENERATION SMITHKLINE BEECHAM PLC (GB) 1993-09-29 EP disclosed
EP-0561979-A1 USE OF ANGIOTENSIN II ANTAGONISTS IN THE TREATMENT OF ANGINA PECTORIS SMITHKLINE BEECHAM PLC (GB) 1993-09-29 EP disclosed
EP-0536262-A1 SUBSTITUTED HISTIDINES SMITHKLINE BEECHAM CORPORATION (US) 1993-04-14 EP disclosed
WO-1992000068-A1 SUBSTITUTED HISTIDINES SMITHKLINE BEECHAM CORPORATION (US) 1992-01-09 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 (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-20090233289-A1 Novel DNA threading intercalators TOP2B, POLB, TOP1 ITGB3 1884/4885ITGA2B 593/4885SLC6A5 3548/4885

“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.