SCHEMBL9985442

SCHEMBL9985442

NC(=O)CC(N)c1nn[nH]n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
DDAH1 O94760 1/20 0.41
NAALAD2 Q9Y3Q0 2/20 0.41
KDM6B O15054 1/20 0.36
KDM4A O75164 1/20 0.36
KDM5A P29375 1/20 0.36
GRM1 Q13255 1/20 0.34
GRN P28799 1/20 0.33
SORT1 Q99523 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GRIA1 P42261 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIA3 P42263 1/20 0.32
GRIA4 P48058 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RECQL P46063 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL7488458 0.85 CYP1A2 (0.51) CYP1A2DDAH1NAALAD2KDM6BKDM4A
SCHEMBL22746730 0.82 NAALAD2 (0.45) CYP1A2DDAH1NAALAD2KDM6BKDM4A
SCHEMBL22746732 0.82 NAALAD2 (0.45) CYP1A2DDAH1NAALAD2KDM6BKDM4A
SCHEMBL13319916 0.71 NAALAD2 (0.44) CYP1A2NAALAD2KDM6BKDM4AKDM5A
SCHEMBL353803 0.69 NAALAD2 (0.39) CYP1A2DDAH1NAALAD2KDM6BKDM4A
SCHEMBL18774997 0.69 CYP1A2 (0.50) CYP1A2DDAH1NAALAD2L3MBTL1ALDH1A1
Trifluoroacetic Acid SCHEMBL18762550 0.68 CYP1A2 (0.46) CYP1A2DDAH1NAALAD2KDM6BKDM4A
SCHEMBL18762556 0.68 CYP1A2 (0.49) CYP1A2DDAH1NAALAD2KDM6BKDM4A
SCHEMBL12799249 0.68 NAALAD2 (0.49) CYP1A2NAALAD2KDM6BKDM4AKDM5A
SCHEMBL23646039 0.66 NAALAD2 (0.40) CYP1A2DDAH1NAALAD2KDM6BKDM4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9918964-B2 Reducing platelet activation, aggregation and platelet-stimulated thrombosis or blood coagulation by reducing mitochondrial respiration THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2018-03-20 US disclosed
US-9918964-B2 Reducing platelet activation, aggregation and platelet-stimulated thrombosis or blood coagulation by reducing mitochondrial respiration THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2018-03-20 US disclosed
US-9918964-B2 Reducing platelet activation, aggregation and platelet-stimulated thrombosis or blood coagulation by reducing mitochondrial respiration THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2018-03-20 US disclosed
US-20110301180-A1 Reducing Platelet Activation, Aggregation and Platelet-Stimulated Thrombosis or Blood Coagulation by Reducing Mitochondrial Respiration STANFORD UNIVERSITY (US) 2011-12-08 US disclosed
US-20110301180-A1 Reducing Platelet Activation, Aggregation and Platelet-Stimulated Thrombosis or Blood Coagulation by Reducing Mitochondrial Respiration STANFORD UNIVERSITY (US) 2011-12-08 US disclosed
US-20110301180-A1 Reducing Platelet Activation, Aggregation and Platelet-Stimulated Thrombosis or Blood Coagulation by Reducing Mitochondrial Respiration STANFORD UNIVERSITY (US) 2011-12-08 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-20110301180-A1 Reducing Platelet Activation, Aggregation and Platelet-Stimulated Thrombosis or Blood Coagulation by Reducing Mitochondrial Respiration PC, PFKP, UQCRC1 CYP1A2 413/4885DDAH1 1178/4885NAALAD2 3571/4885

“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.