SCHEMBL11028700

SCHEMBL11028700

O=[N+]([O-])c1n[nH]nc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
GALR3 O60755 1/20 0.34
XDH P47989 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MASP2 O00187 1/20 0.32
GAA P10253 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL30492748 0.78 MAPT (0.30) MAPT
SCHEMBL28946437 0.77 LMNA (0.40) KDM4E
SCHEMBL28341704 0.71 MAPT (0.38) MAPTGALR3KDM4E
SCHEMBL9629226 0.69 KDM4E (0.36) MAPTGALR3KDM4EGAAALDH1A1
SCHEMBL28880802 0.69 MAPT (0.37) MAPTGALR3KDM4E
SCHEMBL8150180 0.66 CCNE2 (0.38) MAPTGALR3ALDH1A1
SCHEMBL35451 0.65 KMT2A (0.34) GALR3KDM4EGAAALDH1A1
SCHEMBL3722614 0.62 KDM4E (0.41) MAPTKDM4EGAAALDH1A1
SCHEMBL20553556 0.61 ALDH1A1 (0.35) MAPTKDM4EALDH1A1
SCHEMBL27820178 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8852320-B2 Preparation of metal-triazolate frameworks THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-10-07 US claimed
EP-2665733-A2 PREPARATION OF METAL-TRIAZOLATE FRAMEWORKS The Regents of The University of California (US) 2013-11-27 EP claimed
WO-2012100224-A2 PREPARATION OF METAL-TRIAZOLATE FRAMEWORKS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-07-26 WO claimed
US-20120186449-A1 PREPARATION OF METAL-TRIAZOLATE FRAMEWORKS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-07-26 US claimed
US-8852320-B2 Preparation of metal-triazolate frameworks THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-10-07 US disclosed
EP-2665733-A2 PREPARATION OF METAL-TRIAZOLATE FRAMEWORKS The Regents of The University of California (US) 2013-11-27 EP disclosed
WO-2012100224-A2 PREPARATION OF METAL-TRIAZOLATE FRAMEWORKS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-07-26 WO disclosed
US-20120186449-A1 PREPARATION OF METAL-TRIAZOLATE FRAMEWORKS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-07-26 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-20120186449-A1 PREPARATION OF METAL-TRIAZOLATE FRAMEWORKS ILF3, SLC39A3, IKZF3 MAPT 2929/4885GALR3 2070/4885XDH 800/4885

“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.