Sugi Predict

Sugi Predict / Compounds / SCHEMBL1615079

SCHEMBL1615079

SCHEMBL1615079

O=[N+]([O-])c1nccn1CC(O)CCl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.67
▸ CHRM1 P11229 1/20 0.48
▸ CYP2C19 P33261 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ TYMP P19971 3/20 0.45
▸ CA12 O43570 5/20 0.45
▸ CA1 P00915 5/20 0.45
▸ CA2 P00918 5/20 0.45
▸ CA9 Q16790 5/20 0.45
▸ CYP2D6 P10635 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ NOS1 P29475 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ CCR10 P46092 2/20 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
SCHEMBL8855553 1.00 KMT2A (0.67) KMT2ACHRM1CYP2C19LMNATHRB
SCHEMBL8897223 1.00 KMT2A (0.67) KMT2ACHRM1CYP2C19LMNATHRB
SCHEMBL12396375 0.91 KMT2A (0.78) KMT2ACHRM1CYP2C19LMNATHRB
SCHEMBL16473558 0.86 KMT2A (0.68) KMT2ACHRM1CYP2C19LMNATHRB
[18F]Fluoromisonidazole SCHEMBL13020421 0.85 KMT2A (0.67) KMT2ACHRM1CYP2C19LMNATHRB
SCHEMBL1614950 0.85 KMT2A (0.67) KMT2ACHRM1CYP2C19LMNATHRB
SCHEMBL2358150 0.85 KMT2A (0.71) KMT2ACHRM1CYP2C19LMNATHRB
[18F]Fluoromisonidazole SCHEMBL17022268 0.85 KMT2A (0.67) KMT2ACHRM1CYP2C19LMNATHRB
Fluoromisonidazole SCHEMBL368122 0.85 KMT2A (0.67) KMT2ACHRM1CYP2C19LMNATHRB
[18F]Fluoromisonidazole SCHEMBL18401354 0.85 KMT2A (0.67) KMT2ACHRM1CYP2C19LMNATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10076578-B2 Probes for imaging of hypoxia VANDERBILT UNIVERSITY (US) 2018-09-18 — — US disclosed
US-20160151517-A1 Probes for Imaging of Hypoxia VANDERBILT UNIVERSITY 2016-06-02 — — US disclosed
US-20160151517-A1 Probes for Imaging of Hypoxia VANDERBILT UNIVERSITY 2016-06-02 — — US disclosed
US-20160151517-A1 Probes for Imaging of Hypoxia VANDERBILT UNIVERSITY 2016-06-02 — — US disclosed
US-9056136-B2 Weakly basic 2-nitroimidazoles for the non-invasive detection of tissue hypoxia NATURAL PHARMACIA INTERNATIONAL, INC. (US) 2015-06-16 — — US disclosed
US-8648064-B2 Metal complexes of N-heterocyclic carbenes THE UNIVERSITY OF AKRON (US) 2014-02-11 — — US disclosed
US-8648064-B2 Metal complexes of N-heterocyclic carbenes THE UNIVERSITY OF AKRON (US) 2014-02-11 — — 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-8519146-B2 Purine or imidazole and silver complexes; therapeutic, antimicrobial, and antifungal compounds; urinary tract infections THE UNIVERSITY OF AKRON (US) 2013-08-27 — — US disclosed
US-8519146-B2 Purine or imidazole and silver complexes; therapeutic, antimicrobial, and antifungal compounds; urinary tract infections THE UNIVERSITY OF AKRON (US) 2013-08-27 — — US disclosed
US-5674693-A Derivatives of 2-nitro-imidazoles as hypoxic cell markers NATURAL PHARMACIA INTERNATIONAL INC. (US) 1997-10-07 — — US disclosed
US-5659048-A CHEMOSENSITIZER, RADIOSENSITIZER ADMINISTERING TO PATIENTS WHOM ARE SENSITIVE TO RADIATION OR CHEMOTHERAPY BRITISH TECHNOLOGY GROUP LIMITED (GB) 1997-08-19 — — US disclosed
US-5652255-A ADMINISTERING NITROIMIDAZOLE DERIVATIVE NITRIC OXIDE SYNTHASE INHIBITOR; ANTITUMOR AGENTS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1997-07-29 — — US disclosed
US-5543527-A ANTITUMOR AGENTS BRITISH TECHNOLOYG GROUP LIMITED (GB) 1996-08-06 — — US disclosed
US-5481000-A RADIOSENSITIZERS OR CHEMOSENSITIZERS; PATENT CLAIMS CHIRAL 3-/2-HYDROXY-3-/2-NITROIMIDAZOL-1-YL/PROPYL/-2-OXAZOLIDINONE, HAVING /S/ CONFIGURATION AT OH CARBON AND FREE OF /R/ CONFIGURATION WARNER-LAMBERT COMPANY (US) 1996-01-02 — — US disclosed
US-5342959-A Process for preparing chiral [[(2-bromoethyl)-amino]methyl]-2-nitro-1H-imidazol-1-ethanol and related compounds WARNER-LAMBERT COMPANY (US) 1994-08-30 — — US disclosed
WO-1994015922-A1 NOVEL PROCESS FOR PREPARING CHIRAL [[(2-BROMOETHYL)AMINO]METHYL]-2-NITRO-1H-IMIDAZOL-1-ETHANOL AND RELATED COMPOUNDS WARNER LAMBERT COMPANY (US) 1994-07-21 — — WO disclosed
US-4797397-A X-RAYS THERAPY OF TUMORS WARNER-LAMBERT COMPANY (US) 1989-01-10 — — US disclosed
US-4241060-A FOR SENSITIZING HYPOXIC CELLS TO RADIATION; ANTIPROTOZAL AGENTS HOFFMANN-LA ROCHE INC. (US) 1980-12-23 — — US disclosed
EP-0000928-A1 Nitroimidazoles and pharmaceutical compositions containing them as well as their preparation F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1979-03-07 — — EP 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 (2 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-20160151517-A1 Probes for Imaging of Hypoxia HIF1A, HYOU1, HIF1AN KMT2A 3465/4885CHRM1 4863/4885CYP2C19 4869/4885
US-10076578-B2 Probes for imaging of hypoxia HIF1A, HYOU1, HIF1AN KMT2A 3465/4885CHRM1 4863/4885CYP2C19 4869/4885

“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.