SCHEMBL4278010

SCHEMBL4278010

O=Cn1ccnc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.40
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
CA9 Q16790 5/20 0.40
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
CYP2C19 P33261 1/20 0.39
TYMP P19971 3/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
OPRK1 P41145 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL11110764 0.82 LMNA (0.43) CA12CA1CA2CA9LMNA
SCHEMBL11111501 0.79 KMT2A (0.41) CA12CA1CA2CA9LMNA
SCHEMBL27442483 0.75 TAAR1 (0.43) CA12CA1CA2CA9LMNA
SCHEMBL7803810 0.72 KMT2A (0.51) CA12CA1CA2CA9LMNA
SCHEMBL15024488 0.71 NFE2L2 (0.43) CA12CA1CA2CA9LMNA
SCHEMBL1979557 0.71
SCHEMBL6236180 0.71
SCHEMBL4262422 0.71
SCHEMBL6131634 0.71
SCHEMBL17635577 0.71

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
EP-0830357-A4 RADIOSENSITIZING DIAMINES AND THEIR PHARMACEUTICAL PREPARATIONS UNIV FLORIDA STATE (US) 2000-01-19 EP claimed
EP-0830357-A1 RADIOSENSITIZING DIAMINES AND THEIR PHARMACEUTICAL PREPARATIONS FLORIDA STATE UNIVERSITY (US) 1998-03-25 EP claimed
WO-1996030365-A1 RADIOSENSITIZING DIAMINES AND THEIR PHARMACEUTICAL PREPARATIONS FLORIDA STATE UNIVERSITY (US) 1996-10-03 WO claimed
US-7608725-B2 Processes for nitration of N-substituted imidazoles THE RICHARD STOCKTON COLLEGE OF NEW JERSEY (US) 2009-10-27 US disclosed
US-20080045722-A1 PROCESSES FOR NITRATION OF N-SUBSTITUTED IMIDAZOLES THE RICHARD STOCKTON COLLEGE OF NEW JERSEY 2008-02-21 US disclosed
WO-2007134187-A2 PROCESSES FOR NITRATION OF N-SUBSTITUTED IMIDAZOLES THE RICHARD STOCKTON COLLEGE OF NEW JERSEY (US) 2007-11-22 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-20080045722-A1 PROCESSES FOR NITRATION OF N-SUBSTITUTED IMIDAZOLES NOS2, NOS1, NOS3 CA12 3585/4885CA1 3465/4885CA2 1355/4885

“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.