SCHEMBL2931879

SCHEMBL2931879

CN(CCNC(CS)C(=O)O)C(=N)N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.46
NOS1 P29475 1/20 0.46
NOS2 P35228 1/20 0.46
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
ALOX15 P16050 1/20 0.40
NFKB1 P19838 1/20 0.40
PTGS2 P35354 1/20 0.40
THPO P40225 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ACE P12821 1/20 0.37
FOLH1 Q04609 1/20 0.32
GGT1 P19440 1/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA12 O43570 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL4910708 0.80 KDM4E (0.47) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL12205305 0.75 KDM4E (0.47) NOS3NOS1NOS2KDM4EMAPT
SCHEMBL2897268 0.73 ALOX15 (0.40) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL900182 0.73 KDM4E (0.54) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL17378062 0.73 KDM4E (0.54) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL900178 0.73 KDM4E (0.54) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL17378053 0.72 KDM4E (0.45) KDM4EMAPTTHRBALOX15NFKB1
Hydrochloric Acid SCHEMBL16993797 0.71 KDM4E (0.52) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL8470090 0.70 KDM4E (0.48) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL619940 0.70 GGT1 (0.56) KDM4EMAPTTHRBALOX15NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799845-B1 IN-GEL TAGGING AND IN-GEL DIGESTION FOR PHOSPHOPROTEINS ANALYSIS AND PHOSPHORYLATION SITE IDENTIFICATION KOREA BASIC SCIENCE INST (KR) 2010-09-15 EP disclosed
US-7629744-B2 In-gel tagging and in-gel digestion for phosphoproteins analysis and phosphorylation site identification KOREA BASIC SCIENCE INSTITUTE (KR) 2009-12-08 US disclosed
US-20070287169-A1 In-Gel Tagging And In-Gel Digestion For Phosphoproteins Analysis And Phosphorylation Site Identification KOREA BASIC SCIENCE INSTITUTE (KR) 2007-12-13 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-20070287169-A1 In-Gel Tagging And In-Gel Digestion For Phosphoproteins Analysis And Phosphorylation Site Identification PTMS, CHAMP1, DNPEP NOS3 3117/4885NOS1 3645/4885NOS2 3483/4885

“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.