SCHEMBL1614950

SCHEMBL1614950

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

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.67
CA12 O43570 5/20 0.48
CA1 P00915 5/20 0.48
CA2 P00918 5/20 0.48
CA9 Q16790 5/20 0.48
LMNA P02545 1/20 0.47
THRB P10828 1/20 0.47
CYP2C19 P33261 1/20 0.47
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
OPRK1 P41145 1/20 0.43
TYMP P19971 3/20 0.43
NOS1 P29475 1/20 0.35
CHRM1 P11229 1/20 0.33
CCR10 P46092 2/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL12396375 0.91 KMT2A (0.78) KMT2ACA12CA1CA2CA9
SCHEMBL16473558 0.86 KMT2A (0.68) KMT2ACA12CA1CA2CA9
SCHEMBL8855553 0.85 KMT2A (0.67) KMT2ACA12CA1CA2CA9
SCHEMBL8897223 0.85 KMT2A (0.67) KMT2ACA12CA1CA2CA9
[18F]Fluoromisonidazole SCHEMBL18401354 0.85 KMT2A (0.67) KMT2ACA12CA1CA2CA9
[18F]Fluoromisonidazole SCHEMBL13020421 0.85 KMT2A (0.67) KMT2ACA12CA1CA2CA9
Fluoromisonidazole SCHEMBL368122 0.85 KMT2A (0.67) KMT2ACA12CA1CA2CA9
[18F]Fluoromisonidazole SCHEMBL17022268 0.85 KMT2A (0.67) KMT2ACA12CA1CA2CA9
SCHEMBL2358150 0.85 KMT2A (0.71) KMT2ACA12CA1CA2CA9
SCHEMBL1615079 0.85 KMT2A (0.67) KMT2ACA12CA1CA2CA9

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518371-B2 Hypoxia-selective, weakly basic 2-nitroimidazole delivery agents and methods of use thereof NATURAL PHARMACIA INTERNATIONAL, INC. (US) 2013-08-27 US disclosed
US-8518371-B2 Hypoxia-selective, weakly basic 2-nitroimidazole delivery agents and methods of use thereof NATURAL PHARMACIA INTERNATIONAL, INC. (US) 2013-08-27 US disclosed
US-8518371-B2 Hypoxia-selective, weakly basic 2-nitroimidazole delivery agents and methods of use thereof NATURAL PHARMACIA INTERNATIONAL, INC. (US) 2013-08-27 US disclosed
US-20110085975-A1 HYPOXIA-SELECTIVE, WEAKLY BASIC 2-NITROIMIDAZOLE DELIVERY AGENTS AND METHODS OF USE THEREOF NATURAL PHARMACIA INTERNATIONAL, INC. (US) 2011-04-14 US disclosed
US-20110085975-A1 HYPOXIA-SELECTIVE, WEAKLY BASIC 2-NITROIMIDAZOLE DELIVERY AGENTS AND METHODS OF USE THEREOF NATURAL PHARMACIA INTERNATIONAL, INC. (US) 2011-04-14 US disclosed
US-20110085975-A1 HYPOXIA-SELECTIVE, WEAKLY BASIC 2-NITROIMIDAZOLE DELIVERY AGENTS AND METHODS OF USE THEREOF NATURAL PHARMACIA INTERNATIONAL, INC. (US) 2011-04-14 US disclosed
US-7842278-B2 Hypoxia-selective, weakly basic 2-nitroimidazole delivery agents and methods of use thereof NATURAL PHARMACIA INTERNATIONAL, INC. (US) 2010-11-30 US disclosed
US-7842278-B2 Hypoxia-selective, weakly basic 2-nitroimidazole delivery agents and methods of use thereof NATURAL PHARMACIA INTERNATIONAL, INC. (US) 2010-11-30 US disclosed
US-7842278-B2 Hypoxia-selective, weakly basic 2-nitroimidazole delivery agents and methods of use thereof NATURAL PHARMACIA INTERNATIONAL, INC. (US) 2010-11-30 US disclosed
CN-101668547-A Select the alkalescence 2-nitroimidazole delivery agents and the application process thereof of oxygen-starved tissue NATURAL PHARMACIA INTERNATIONA 2010-03-10 CN disclosed
US-20080102026-A1 Hypoxia-selective, weakly basic 2-nitroimidazole delivery agents and methods of use thereof NATURAL PHARMACIA INTERNATIONAL, INC. 2008-05-01 US disclosed
US-20080102026-A1 Hypoxia-selective, weakly basic 2-nitroimidazole delivery agents and methods of use thereof NATURAL PHARMACIA INTERNATIONAL, INC. 2008-05-01 US disclosed
US-20080102026-A1 Hypoxia-selective, weakly basic 2-nitroimidazole delivery agents and methods of use thereof NATURAL PHARMACIA INTERNATIONAL, INC. 2008-05-01 US disclosed
EP-1844022-A1 QUINAZOLINE DERIVATIVES FOR INHIBITING CANCER CELL GROWTH AND METHOD FOR THE PREPARATION THEREOF Hanmi Pharm. Co., Ltd. (KR) 2007-10-17 EP disclosed
EP-1404376-A4 RADIOPHARMACEUTICAL FORMULATIONS BRACCO IMAGING SPA (US) 2007-07-04 EP disclosed
WO-2006071017-A1 QUINAZOLINE DERIVATIVES FOR INHIBITING CANCER CELL GROWTH AND METHOD FOR THE PREPARATION THEREOF HANMI PHARM. CO., LTD. (KR) 2006-07-06 WO disclosed
US-20050187198-A1 Methods of preparing substituted tetracyclines with transition metal-based chemistries TRUSTEES OF TUFTS COLLEGE (US) 2005-08-25 US disclosed
US-20050074402-A1 Radiopharmaceutical formulations BRACCO IMAGING S.P.A. (IT) 2005-04-07 US disclosed
EP-1404376-A2 RADIOPHARMACEUTICAL FORMULATIONS Bracco Imaging SPA (US) 2004-04-07 EP disclosed
WO-2002032294-A2 RADIOPHARMACEUTICAL FORMULATIONS BRACCO RESEARCH USA (US) 2002-04-25 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 (4 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-20050187198-A1 Methods of preparing substituted tetracyclines with transition metal-based chemistries TET1, TET3, DDT KMT2A 526/4885CA12 3530/4885CA1 2913/4885
US-20110085975-A1 HYPOXIA-SELECTIVE, WEAKLY BASIC 2-NITROIMIDAZOLE DELIVERY AGENTS AND METHODS OF USE THEREOF HIF1AN, HIF1A, NUCB2 KMT2A 749/4885CA12 140/4885CA1 216/4885
US-20080102026-A1 Hypoxia-selective, weakly basic 2-nitroimidazole delivery agents and methods of use thereof HIF1AN, HIF1A, NUCB2 KMT2A 749/4885CA12 140/4885CA1 216/4885
US-20050074402-A1 Radiopharmaceutical formulations SDHB, GPX4, SDHA KMT2A 4656/4885CA12 1762/4885CA1 2641/4885

“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.