SCHEMBL4853309

SCHEMBL4853309

CON=[N+]([O-])N1CCN(C(=O)[C@H](CCSC)NC(C)=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PPID Q08752 1/20 0.39
NPC1 O15118 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
UBE2N P61088 1/20 0.37
TSHR P16473 1/20 0.37
GFER P55789 1/20 0.36
CCR1 P32246 1/20 0.36
TGM2 P21980 1/20 0.35
RCE1 Q9Y256 1/20 0.35

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
SCHEMBL6013883 0.90 PPID (0.40) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL6013884 0.90 PPID (0.40) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL4860453 0.90 PPID (0.40) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL14066126 0.84 ALDH1A1 (0.36) KMT2AKDM4EALDH1A1GAAHSD17B10
SCHEMBL28491402 0.78 PPID (0.46) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL14066123 0.75 ALDH1A1 (0.37) KMT2AKDM4EALDH1A1GAAHSD17B10
SCHEMBL14066122 0.74 PPID (0.45) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL4859643 0.74 PPID (0.45) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL4863045 0.74 TSHR (0.53) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL14066124 0.74 TSHR (0.53) MEN1KMT2AKDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7425218-B2 Nitric oxide-releasing medical devices THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2008-09-16 US disclosed
EP-1666047-A1 Pharmaceutical compositions comprising nitric oxide-releasing pyrrolidones The Government of the United States of America As represented by the Secretary of the Department Of Health and Human Services (US) 2006-06-07 EP disclosed
EP-0793500-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING NITRIC OXIDE-RELEASING POLYSACCHARIDES US GOV HEALTH & HUMAN SERV (US) 2006-05-03 EP disclosed
US-20020119115-A1 Nitric oxide-releasing medical devices OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH (US) 2002-08-29 US disclosed
US-6379660-B1 BIOPOLYMERS; ADMINISTERING THERAPY DOSAGE; ANTITUMOR AGENTS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2002-04-30 US disclosed
US-6200558-B1 PEPTIDE, POLYPEPTIDE, PROTEIN, OLIGONUCLEOTIDE OR NUCLEIC ACID, TO WHICH IS BOUND A NITRIC OXIDE-RELEASING N2O2-FUNCTIONAL GROUP THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2001-03-13 US disclosed
US-5700830-A Use of nitric oxide-releasing agents for reducing metastasis risk THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-12-23 US disclosed
US-5632981-A Biopolymer-bound nitric oxide-releasing compositions, pharmaceutical compositions incorporating same and methods of treating biological disorders using same THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-05-27 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 (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-20020119115-A1 Nitric oxide-releasing medical devices NOS2, NOS1, NOS3 MEN1 2956/4885KMT2A 3845/4885KDM4E 4639/4885

“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.