SCHEMBL4319784

SCHEMBL4319784

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

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.61
THRB P10828 1/20 0.61
CYP2C19 P33261 1/20 0.61
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
OPRK1 P41145 1/20 0.56
CA12 O43570 5/20 0.55
CA1 P00915 5/20 0.55
CA2 P00918 5/20 0.55
CA9 Q16790 5/20 0.55
KMT2A Q03164 1/20 0.49
TYMP P19971 3/20 0.46
NOS1 P29475 1/20 0.43
MITF O75030 1/20 0.38
TNIK Q9UKE5 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CCR10 P46092 1/20 0.34

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
SCHEMBL17831274 0.85 LMNA (0.56) LMNATHRBCYP2C19CYP3A4CYP2D6
SCHEMBL3914305 0.85 LMNA (0.62) LMNATHRBCYP2C19CYP3A4CYP2D6
SCHEMBL4398512 0.84 CA12 (0.56) LMNATHRBCYP2C19CYP3A4CYP2D6
SCHEMBL15325016 0.83 LMNA (0.61) LMNATHRBCYP2C19CYP3A4CYP2D6
SCHEMBL11879496 0.83 LMNA (0.61) LMNATHRBCYP2C19CYP3A4CYP2D6
SCHEMBL13897245 0.82 LMNA (0.63) LMNATHRBCYP2C19CYP3A4CYP2D6
SCHEMBL5312329 0.81 LMNA (0.70) LMNATHRBCYP2C19CYP3A4CYP2D6
SCHEMBL13657445 0.80 LMNA (0.57) LMNATHRBCYP2C19CYP3A4CYP2D6
SCHEMBL3835016 0.80 LMNA (0.60) LMNATHRBCYP2C19CYP3A4CYP2D6
Potassium Ion SCHEMBL5317511 0.80 LMNA (0.68) LMNATHRBCYP2C19CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160289197-A1 PRODUCTION METHOD FOR PRODUCING N-BENZYL-2-(2-NITRO-1H-IMIDAZOL-1-YL) ACETAMIDE MINISTERIO DE EDUCACIÓN (SV) 2016-10-06 US claimed
WO-2011145957-A1 AGENTS AND METHODS FOR DETECTION AND/OR IMAGING OF HYPOXIA AUCKLAND UNISERVICES LIMITED (NZ) 2011-11-24 WO disclosed
EP-1202973-B1 PREPARATION OF COMPOUNDS USEFUL FOR THE DETECTION OF HYPOXIA UNIV PENNSYLVANIA (US) 2009-12-30 EP disclosed
WO-2008099165-A1 PIPERIDINE DERIVATIVES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2008-08-21 WO disclosed
US-7230115-B1 Preparation of compounds useful for the detection of hypoxia THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2007-06-12 US disclosed
EP-0669913-B1 DETECTION OF HYPOXIA UNIV PENNSYLVANIA (US) 2003-03-05 EP disclosed
US-5843404-A Immunogenic conjugates of nitroaromatic compounds and proteins; monoclonal antibodies specific for nitroaromatic compounds , their protein conjugates TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1998-12-01 US disclosed
EP-0669913-A4 DETECTION OF HYPOXIA. UNIV PENNSYLVANIA (US) 1996-08-21 EP disclosed
US-5540908-A DETECTION OF OXYGEN DEPRIVATION USING IMMUNOHISTOLOGICAL METHODS THE TRUSTEES OF THE UNIV. OF PENNSYLVANIA (US) 1996-07-30 US disclosed
EP-0669913-A1 DETECTION OF HYPOXIA THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1995-09-06 EP disclosed
WO-1994011348-A1 DETECTION OF HYPOXIA THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1994-05-26 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-20160289197-A1 PRODUCTION METHOD FOR PRODUCING N-BENZYL-2-(2-NITRO-1H-IMIDAZOL-1-YL) ACETAMIDE NAAA, NIT2, NAA15 LMNA 2287/4885THRB 1557/4885CYP2C19 1648/4885

“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.