SCHEMBL45765

SCHEMBL45765

CC(=N)NC(CCCCN)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.58
SLC6A5 Q9Y345 1/20 0.49
GSR P00390 1/20 0.46
RNPEP Q9H4A4 1/20 0.44
SIRT6 Q8N6T7 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
CPB2 Q96IY4 10/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
GNPAT O15228 1/20 0.41

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
SCHEMBL214641 1.00 FOLH1 (0.58) FOLH1SLC6A5GSRRNPEPSIRT6
Hydrochloric Acid SCHEMBL2166126 0.98 FOLH1 (0.57) FOLH1SLC6A5GSRRNPEPSIRT6
Hydrochloric Acid SCHEMBL15914484 0.98 FOLH1 (0.57) FOLH1SLC6A5GSRRNPEPSIRT6
Acetic Acid SCHEMBL268740 0.98 FOLH1 (0.57) FOLH1SLC6A5GSRRNPEPSIRT6
SCHEMBL867577 0.95 FOLH1 (0.51) FOLH1SLC6A5GSRRNPEPSIRT6
SCHEMBL866580 0.95 FOLH1 (0.51) FOLH1SLC6A5GSRRNPEPSIRT6
SCHEMBL232125 0.95 FOLH1 (0.51) FOLH1SLC6A5GSRRNPEPSIRT6
Hydrochloric Acid SCHEMBL1982438 0.93 FOLH1 (0.50) FOLH1SLC6A5GSRSIRT6SIRT1
Hydrochloric Acid SCHEMBL1982441 0.93 FOLH1 (0.50) FOLH1SLC6A5GSRSIRT6SIRT1
SCHEMBL919220 0.85 FOLH1 (0.62) FOLH1SLC6A5GSRRNPEPSIRT6

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 312 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103127147-A Medicine composition containing budesonide and nitric oxide synthase (NOS) inhibitor and for treating nose inflammation TIANJIN JINYAO GROUP CO LTD 2013-06-05 CN claimed
CN-103127132-A Dermal medicine composition containing fluticasone propionate and nitric oxide synthase (NOS) inhibitor TIANJIN JINYAO GROUP CO LTD 2013-06-05 CN claimed
CN-103127141-A Inhalation drug composition with mometasone furoate and nitric oxide synthase (NOS) inhibitor TIANJIN JINYAO GROUP CO LTD 2013-06-05 CN claimed
CN-102949400-A Medicinal composition containing glucocorticoid and NOS (Nitric Oxide Synthase) inhibitor for treating nasal inflammation TIANJIN JINYAO GROUP CO LTD 2013-03-06 CN claimed
CN-102949723-A Medicinal composition containing glucocorticoid and NOS (Nitric Oxide Synthase) inhibitor for treating skin inflammation TIANJIN JINYAO GROUP CO LTD 2013-03-06 CN claimed
CN-102949721-A Transdermal absorption pharmaceutical composition containing testosterone and NOS inhibitor TIANJIN JINYAO GROUP CO LTD 2013-03-06 CN claimed
CN-102949724-A Inhalation medicine composition containing glucocorticoid and NOS (nitric oxide synthase) inhibitor TIANJIN JINYAO GROUP CO LTD 2013-03-06 CN claimed
US-20100221247-A1 AGENTS AND METHODS FOR TREATMENT OF CANCER BENDER ROBERT 2010-09-02 US claimed
US-20090326017-A1 PAIN-RELIEVING COMPOSITIONS AND USES THEREFOR THE UNIVERSITY OF QUEENSLAND (AU) 2009-12-31 US claimed
US-20090298747-A1 Methods and Compositions For Treatment of Nitric Oxide-Induced Clinical Conditions BIO HOLDING, INC. (US) 2009-12-03 US claimed
WO-2008080194-A1 PAIN-RELIEVING COMPOSITIONS AND USES THEREFOR THE UNIVERSITY OF QUEENSLAND (AU) 2008-07-10 WO claimed
EP-1502604-A1 Use of nitric oxide mimetics in cancer treatment Cellegy Pharmaceuticals, Inc (US) 2005-02-02 EP claimed
EP-1492567-A1 FORMULATIONS AND METHODS OF USING NITRIC OXIDE MIMETICS IN CANCER TREATMENT Cellegy Pharmaceuticals, Inc (US) 2005-01-05 EP claimed
EP-1278547-B1 FORMULATIONS AND METHODS OF USING NITRIC OXIDE MIMETICS AGAINST A MALIGNANT CELL PHENOTYPE CELLEGY PHARMA INC (US) 2004-11-03 EP claimed
US-20030215528-A1 Formulations and methods of using nitric oxide mimetics against a malignant cell phenotype QUEENS UNIVERSITY AT KINGSTON (CA) 2003-11-20 US claimed
WO-2003074082-A1 FORMULATIONS AND METHODS OF USING NITRIC OXIDE MIMETICS IN CANCER TREATMENT CELLEGY PHARMACEUTICALS, INC. (CA) 2003-09-12 WO claimed
US-6586478-B2 Administering nitrogen oxide mimetic CELLEGY CANADA (CA) 2003-07-01 US claimed
US-5756451-A ANTIISCHEMIC AGENTS COR THERAPEUTICS, INC. (US) 1998-05-26 US claimed
EP-0618898-A1 AMIDINO DERIVATIVES AND THEIR USE AS NITRIC OXIDE SYNTHASE INHIBITORS THE WELLCOME FOUNDATION LIMITED (GB) 1994-10-12 EP claimed
WO-1993013055-A1 AMIDINO DERIVATIVES AND THEIR USE AS NITRIC OXIDE SYNTHASE INHIBITORS THE WELLCOME FOUNDATION LIMITED (GB) 1993-07-08 WO claimed

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-20090326017-A1 PAIN-RELIEVING COMPOSITIONS AND USES THEREFOR NOS2, NOS1, NOS3 FOLH1 2749/4885SLC6A5 750/4885GSR 307/4885

“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.