SCHEMBL368113

SCHEMBL368113

O=[N+]([O-])c1nccn1CC(O)C(O)CF

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.59
LMNA P02545 1/20 0.47
THRB P10828 1/20 0.47
CYP2C19 P33261 1/20 0.47
CA12 O43570 5/20 0.45
CA1 P00915 5/20 0.45
CA2 P00918 5/20 0.45
CA9 Q16790 5/20 0.45
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
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.33
CCR10 P46092 2/20 0.31

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
SCHEMBL16367339 1.00 KMT2A (0.59) KMT2ALMNATHRBCYP2C19CA12
[18F]Fluoromisonidazole SCHEMBL13020421 0.88 KMT2A (0.67) KMT2ALMNATHRBCYP2C19CA12
Fluoromisonidazole SCHEMBL368122 0.88 KMT2A (0.67) KMT2ALMNATHRBCYP2C19CA12
[18F]Fluoromisonidazole SCHEMBL18401354 0.88 KMT2A (0.67) KMT2ALMNATHRBCYP2C19CA12
[18F]Fluoromisonidazole SCHEMBL17022268 0.88 KMT2A (0.67) KMT2ALMNATHRBCYP2C19CA12
SCHEMBL15899144 0.85 KMT2A (0.56) KMT2ALMNATHRBCYP2C19CA12
SCHEMBL12396375 0.84 KMT2A (0.78) KMT2ALMNATHRBCYP2C19CA12
SCHEMBL2358150 0.82 KMT2A (0.71) KMT2ALMNATHRBCYP2C19CA12
SCHEMBL14042973 0.81 KMT2A (0.47) KMT2ALMNATHRBCYP2C19CA12
SCHEMBL12427874 0.81 KMT2A (0.47) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118662796-A Systems and methods for bio-adaptive radiation therapy 反射医疗公司 2024-09-20 CN claimed
CN-118662796-A Systems and methods for bio-adaptive radiation therapy 反射医疗公司 2024-09-20 CN disclosed
EP-4344736-A2 METHODS FOR CALCULATING BOUNDED DOSE-VOLUME HISTOGRAMS (DVH) FOR EVALUATING A TREATMENT PLAN RefleXion Medical, Inc. (US) 2024-04-03 EP disclosed
EP-3641884-B1 METHODS FOR CALCULATING BOUNDED DOSE-VOLUME HISTOGRAMS (DVH) FOR EVALUATING A TREATMENT PLAN REFLEXION MEDICAL INC (US) 2023-11-22 EP disclosed
US-10357577-B2 Bacterial nitroreductase enzymes and methods relating thereto AUCKLAND UNISERVICES LIMITED (NZ) 2019-07-23 US disclosed
US-20150010474-A1 Compounds And Methods For Selective Imaging And/Or Ablation AUCKLAND UNISERVICES LTD (NL) 2015-01-08 US disclosed
US-20150010474-A1 Compounds And Methods For Selective Imaging And/Or Ablation AUCKLAND UNISERVICES LTD (NL) 2015-01-08 US disclosed
US-20130295011-A1 BACTERIAL NITROREDUCTASE ENZYMES AND METHODS RELATING THERETO VICTORIA LINK LIMITED (NZ) 2013-11-07 US disclosed
US-20130295011-A1 BACTERIAL NITROREDUCTASE ENZYMES AND METHODS RELATING THERETO VICTORIA LINK LIMITED (NZ) 2013-11-07 US disclosed
EP-2593796-A2 BACTERIAL NITROREDUCTASE ENZYMES AND METHODS RELATING THERETO Auckland Uniservices Limited (NZ) 2013-05-22 EP disclosed
WO-2012008860-A2 BACTERIAL NITROREDUCTASE ENZYMES AND METHODS RELATING THERETO AUCKLAND UNISERVICES LIMITED (NZ) 2012-01-19 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-20150010474-A1 Compounds And Methods For Selective Imaging And/Or Ablation CBR1, CBR3, BLVRB KMT2A 2366/4885LMNA 4469/4885THRB 1824/4885

“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.