SCHEMBL14843061

SCHEMBL14843061

CN(C)C(N)=NCCCC(N)C(=O)O

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 10/20 0.79
▸ NOS1 P29475 9/20 0.67
▸ NOS3 P29474 5/20 0.67
▸ CYP2C19 P33261 3/20 0.67
▸ MEN1 O00255 1/20 0.67
▸ KMT2A Q03164 1/20 0.67
▸ CYP1A2 P05177 2/20 0.66
▸ TSHR P16473 2/20 0.66
▸ GLA P06280 1/20 0.66
▸ NFKB1 P19838 1/20 0.66
▸ APEX1 P27695 1/20 0.66
▸ DDAH1 O94760 6/20 0.63
▸ THPO P40225 1/20 0.61
▸ CYP3A4 P08684 1/20 0.60
▸ BLM P54132 1/20 0.58

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
SCHEMBL196828 1.00 NOS2 (0.79) NOS2NOS1NOS3CYP2C19MEN1
SCHEMBL995818 1.00 NOS2 (0.79) NOS2NOS1NOS3CYP2C19MEN1
SCHEMBL13484050 1.00 NOS2 (0.79) NOS2NOS1NOS3CYP2C19MEN1
SCHEMBL31436337 0.89 NOS2 (0.68) NOS2NOS1NOS3CYP2C19MEN1
Hydrochloric Acid SCHEMBL30114268 0.87 NOS2 (0.66) NOS2NOS1NOS3CYP2C19MEN1
L-Nio SCHEMBL15944942 0.80 NOS2 (1.00) NOS2NOS1NOS3CYP2C19MEN1
Arginine SCHEMBL43261 0.80 NOS2 (1.00) NOS2NOS1NOS3CYP2C19MEN1
Arginine SCHEMBL288835 0.80 NOS2 (1.00) NOS2NOS1NOS3CYP2C19MEN1
Arginine SCHEMBL30577923 0.80 NOS2 (1.00) NOS2NOS1NOS3CYP2C19MEN1
Arginine SCHEMBL288993 0.80 NOS2 (1.00) NOS2NOS1NOS3CYP2C19MEN1

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
EP-3223834-B2 PROBIOTIC AND PREBIOTIC COMPOSITIONS COMPRISING BLAUTIA SPECIES FOR REDUCING INFLAMMATION EVELO BIOSCIENCES INC (US) 2023-07-12 — — EP disclosed
US-11672834-B2 Probiotic and prebiotic compositions, and methods of use thereof for modulation of the microbiome EVELO BIOSCIENCES, INC. (US) 2023-06-13 — — US disclosed
US-20220323511-A1 PROBIOTIC AND PREBIOTIC COMPOSITIONS, AND METHODS OF USE THEREOF FOR MODULATION OF THE MICROBIOME PHARMABIOME AG (CH) 2022-10-13 — — US disclosed
EP-2764370-B1 MYOSIN BINDING PROTEIN-C FOR USE IN METHODS RELATING TO DIASTOLIC HEART FAILURE UNIV ILLINOIS (US) 2017-09-13 — — EP disclosed
EP-2764370-A2 MYOSIN BINDING PROTEIN-C FOR USE IN METHODS RELATING TO DIASTOLIC HEART FAILURE The Board of Trustees of the University of Illinois (US) 2014-08-13 — — EP disclosed
US-20140011811-A1 MYOSIN BINDING PROTEIN-C FOR USE IN METHODS RELATING TO DIASTOLIC HEART FAILURE THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS (US) 2014-01-09 — — US disclosed
WO-2013052933-A2 MYOSIN BINDING PROTEIN-C FOR USE IN METHODS RELATING TO DIASTOLIC HEART FAILURE THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2013-04-11 — — 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-20140011811-A1 MYOSIN BINDING PROTEIN-C FOR USE IN METHODS RELATING TO DIASTOLIC HEART FAILURE MYOF, FABP3, MYH2 NOS2 2969/4885NOS1 3157/4885NOS3 1925/4885

“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.

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