SCHEMBL13319916

SCHEMBL13319916

NC(C(=O)O)c1nn[nH]n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 3/20 0.44
GRM1 Q13255 3/20 0.44
CYP1A2 P05177 1/20 0.43
GRIA1 P42261 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIA3 P42263 1/20 0.37
GRIA4 P48058 1/20 0.37
KDM6B O15054 1/20 0.35
KDM4A O75164 1/20 0.35
KDM5A P29375 1/20 0.35
ALDH1A1 P00352 1/20 0.33
RECQL P46063 1/20 0.33
PIN1 Q13526 1/20 0.33
LMNA P02545 1/20 0.32
GRM5 P41594 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL23646039 0.77 NAALAD2 (0.40) NAALAD2GRM1CYP1A2GRIA1GRIA2
SCHEMBL31326721 0.75 NAALAD2 (0.44) NAALAD2GRM1CYP1A2ALDH1A1RECQL
SCHEMBL353803 0.69 NAALAD2 (0.39) NAALAD2GRM1CYP1A2KDM6BKDM4A
SCHEMBL23796262 0.67 NAALAD2 (0.47) NAALAD2CYP1A2ALDH1A1RECQLPIN1
SCHEMBL31696740 0.64 NAALAD2 (0.60) NAALAD2GRIA1GRIA2GRIA3GRIA4
SCHEMBL24251553 0.64 NAALAD2 (0.60) NAALAD2GRIA1GRIA2GRIA3GRIA4
SCHEMBL28428255 0.61 ALDH1A1 (0.36) GRM1CYP1A2ALDH1A1LMNAGRM5
SCHEMBL20652615 0.61 NAALAD2 (0.39) NAALAD2CYP1A2KDM6BKDM4AKDM5A
SCHEMBL30832993 0.58 CYP3A4 (0.37) GRM1CYP1A2LMNAGRM5KDM4E
SCHEMBL16509726 0.57

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144868-A1 Novel Neuroprotective Compounds and Uses Thereof RAMOT AT AVIV UNIVERSITY LTD. (IL) 2010-06-10 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-20100144868-A1 Novel Neuroprotective Compounds and Uses Thereof GRM2, GRIN1, GRM3 NAALAD2 1720/4885GRM1 5/4885CYP1A2 2633/4885

“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.