SCHEMBL867577

SCHEMBL867577

CC(=N)N[C@H](CCCN)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.51
SLC6A5 Q9Y345 1/20 0.43
GNPAT O15228 2/20 0.42
CPB2 Q96IY4 5/20 0.40
NOD1 Q9Y239 2/20 0.39
GSR P00390 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
SIRT6 Q8N6T7 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
RNPEP Q9H4A4 1/20 0.37
RIMKLA Q8IXN7 1/20 0.37
NAALAD2 Q9Y3Q0 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.37
NFKB1 P19838 1/20 0.37
PTGS2 P35354 1/20 0.37
THPO P40225 1/20 0.37

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
SCHEMBL232125 1.00 FOLH1 (0.51) FOLH1SLC6A5GNPATCPB2NOD1
SCHEMBL866580 1.00 FOLH1 (0.51) FOLH1SLC6A5GNPATCPB2NOD1
Hydrochloric Acid SCHEMBL1982441 0.98 FOLH1 (0.50) FOLH1SLC6A5GNPATCPB2NOD1
Hydrochloric Acid SCHEMBL1982438 0.98 FOLH1 (0.50) FOLH1SLC6A5GNPATCPB2NOD1
SCHEMBL45765 0.95 FOLH1 (0.58) FOLH1SLC6A5GNPATCPB2GSR
SCHEMBL214641 0.95 FOLH1 (0.58) FOLH1SLC6A5GNPATCPB2GSR
Hydrochloric Acid SCHEMBL2166126 0.93 FOLH1 (0.57) FOLH1SLC6A5GNPATCPB2GSR
Acetic Acid SCHEMBL268740 0.93 FOLH1 (0.57) FOLH1SLC6A5GNPATCPB2GSR
Hydrochloric Acid SCHEMBL15914484 0.93 FOLH1 (0.57) FOLH1SLC6A5GNPATCPB2GSR
SCHEMBL159460 0.85 GNPAT (0.55) FOLH1SLC6A5GNPATCPB2NOD1

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-20120076859-A1 Targeted Lung Delivery of Citrulline and/or Another Nitric Oxide Precursor and a Method for Treatment of Pulmonary Deficiency of Nitric Oxide in Cystic Fibrosis and Other Pulmonary Diseases ACTIVAERO GMBH (DE) 2012-03-29 US disclosed
US-20080070952-A1 Inhibition or Treatment of Dyskinesia PROXIMAGEN LTD., (GB) 2008-03-20 US disclosed
EP-1850838-A2 INHIBITION OR TREATMENT OF DYSKINESIA Proximagen Ltd. (GB) 2007-11-07 EP disclosed
US-7141595-B2 Amino benzothiazole compounds with NOS inhibitory activity NEURAXON INC. (CA) 2006-11-28 US disclosed
WO-2006087577-A2 INHIBITION OR TREATMENT OF DYSKINESIA PROXIMAGEN LTD. (GB) 2006-08-24 WO disclosed
US-20050209291-A1 N-(2-Amino-benzothiazol-6-yl)-ethylthiocarboximidamide or other amino benzothiazole derivatives as neuroprotectants and for the treatment of neuropathic pain NEURAXON INC. (CA) 2005-09-22 US disclosed
US-20030118983-A1 Rapid screening procedure for inflammation mediators CASSIDY RICHARD A (US) 2003-06-26 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 (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-20080070952-A1 Inhibition or Treatment of Dyskinesia DBH, COMT, DDO FOLH1 1148/4885SLC6A5 408/4885GNPAT 1618/4885
US-20050209291-A1 N-(2-Amino-benzothiazol-6-yl)-ethylthiocarboximidamide or other amino benzothiazole derivatives as neuroprotectants and for the treatment of neuropathic pain GAP43, NLN, TRPV1 FOLH1 4025/4885SLC6A5 3372/4885GNPAT 1352/4885

“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.