SCHEMBL367445

SCHEMBL367445

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

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.57
LMNA P02545 1/20 0.46
THRB P10828 1/20 0.46
CYP2C19 P33261 1/20 0.46
CA12 O43570 5/20 0.44
CA1 P00915 5/20 0.44
CA2 P00918 5/20 0.44
CA9 Q16790 5/20 0.44
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
OPRK1 P41145 1/20 0.40
TYMP P19971 3/20 0.39
ENO1 P06733 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PKM P14618 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NOS1 P29475 1/20 0.30
CCR10 P46092 2/20 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
SCHEMBL8895890 1.00 KMT2A (0.57) KMT2ALMNATHRBCYP2C19CA12
SCHEMBL8895125 1.00 KMT2A (0.57) KMT2ALMNATHRBCYP2C19CA12
Bromide SCHEMBL5137846 0.99 KMT2A (0.56) KMT2ALMNATHRBCYP2C19CA12
Bromide SCHEMBL8855507 0.99 KMT2A (0.56) KMT2ALMNATHRBCYP2C19CA12
SCHEMBL8855499 0.93 KMT2A (0.55) KMT2ALMNATHRBCYP2C19CA12
Bromide SCHEMBL8855612 0.92 KMT2A (0.54) KMT2ALMNATHRBCYP2C19CA12
SCHEMBL9085514 0.89 KMT2A (0.58) KMT2ALMNATHRBCYP2C19CA12
SCHEMBL8855564 0.88 KMT2A (0.57) KMT2ALMNATHRBCYP2C19CA12
SCHEMBL8855458 0.88 KMT2A (0.57) KMT2ALMNATHRBCYP2C19CA12
SCHEMBL8855559 0.88 KMT2A (0.57) KMT2ALMNATHRBCYP2C19CA12

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
EP-1951213-B1 USE OF ALPHA-HYDROXY CARBONYL COMPOUNDS AS REDUCING AGENTS MORVUS TECHNOLOGY LTD (GB) 2012-11-14 EP claimed
US-20100104515-A1 USE OF ALPHA-HYDROXY CARBONYL COMPOUNDS AS REDUCING AGENTS GORDIAN PHARMA LIMITED (GB) 2010-04-29 US claimed
CN-101389320-A Using alpha-hydroxycarbonyl compounds as reducing agents MORVUS TECHNOLOGY LTD (GB) 2009-03-18 CN claimed
US-5659048-A CHEMOSENSITIZER, RADIOSENSITIZER ADMINISTERING TO PATIENTS WHOM ARE SENSITIVE TO RADIATION OR CHEMOTHERAPY BRITISH TECHNOLOGY GROUP LIMITED (GB) 1997-08-19 US claimed
US-5652255-A ADMINISTERING NITROIMIDAZOLE DERIVATIVE NITRIC OXIDE SYNTHASE INHIBITOR; ANTITUMOR AGENTS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1997-07-29 US claimed
EP-0319329-B1 Nitro-substituted aromatic or hetero-aromatic compounds for use in cancer treatment BRITISH TECH GROUP (GB) 1995-11-02 EP claimed
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 claimed
US-5073639-A Reacting a 2-oxazolidinone and a 2-nitroimidazole in the presence of potassium or cesium carbonate and treating the resulting compound with a hydrophalic acid WARNER-LAMBERT COMPANY (US) 1991-12-17 US claimed
EP-0375951-A1 A new process for the synthesis of novel and known nitroimidazoles which are useful as sensitizing agents WARNER-LAMBERT COMPANY (US) 1990-07-04 EP claimed
US-10398676-B2 Use of alpha-hydroxy carbonyl compounds as reducing agents MORVUS TECHNOLOGY LIMITED (GB) 2019-09-03 US disclosed
US-10357577-B2 Bacterial nitroreductase enzymes and methods relating thereto AUCKLAND UNISERVICES LIMITED (NZ) 2019-07-23 US disclosed
CN-103315995-B Use alpha-hydroxy carbonyl compounds as reducing agent 莫沃斯技术有限公司 2019-03-15 CN disclosed
US-20180140575-A1 USE OF ALPHA-HYDROXY CARBONYL COMPOUNDS AS REDUCING AGENTS GORDIAN PHARMA LIMITED (GB) 2018-05-24 US disclosed
US-9907784-B2 Use of alpha-hydroxy carbonyl compounds as reducing agents MORVUS TECHNOLOGY LIMITED (GB) 2018-03-06 US disclosed
US-5073639-A Reacting a 2-oxazolidinone and a 2-nitroimidazole in the presence of potassium or cesium carbonate and treating the resulting compound with a hydrophalic acid WARNER-LAMBERT COMPANY (US) 1991-12-17 US disclosed
US-5036096-A Sensitizers used in radiation and chemotherapy treatment of tumors WARNER-LAMBERT COMPANY (US) 1991-07-30 US disclosed
US-5036089-A Antitumor agents WARNER-LAMBERT COMPANY (US) 1991-07-30 US disclosed
US-4954515-A RADIOSENSITIZING OR CHEMOSENSITIZING AGENTS IN THE TREATMENT OF HYPOXIC TUMOR CELLS WARNER-LAMBERT COMPANY (US) 1990-09-04 US disclosed
EP-0375951-A1 A new process for the synthesis of novel and known nitroimidazoles which are useful as sensitizing agents WARNER-LAMBERT COMPANY (US) 1990-07-04 EP disclosed
EP-0319329-A2 Nitro-substituted aromatic or hetero-aromatic compounds for use in cancer treatment BTG INTERNATIONAL LIMITED (GB) 1989-06-07 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 (3 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-20100104515-A1 USE OF ALPHA-HYDROXY CARBONYL COMPOUNDS AS REDUCING AGENTS DERA, HOGA1, ALDOA KMT2A 3827/4885LMNA 763/4885THRB 3904/4885
US-10398676-B2 Use of alpha-hydroxy carbonyl compounds as reducing agents DERA, HOGA1, ALDOA KMT2A 3827/4885LMNA 763/4885THRB 3904/4885
US-20180140575-A1 USE OF ALPHA-HYDROXY CARBONYL COMPOUNDS AS REDUCING AGENTS DERA, HOGA1, ALDOA KMT2A 3827/4885LMNA 763/4885THRB 3904/4885

“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.