SCHEMBL367133

SCHEMBL367133

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

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.68
THRB P10828 1/20 0.68
CYP2C19 P33261 1/20 0.68
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
OPRK1 P41145 1/20 0.62
CA12 O43570 5/20 0.57
CA1 P00915 5/20 0.57
CA2 P00918 5/20 0.57
CA9 Q16790 5/20 0.57
KMT2A Q03164 1/20 0.44
TYMP P19971 3/20 0.39
NOS1 P29475 1/20 0.36
F2 P00734 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
SCHEMBL29415206 0.90 LMNA (0.65) LMNATHRBCYP2C19CYP3A4CYP2D6
SCHEMBL15610852 0.90 LMNA (0.65) LMNATHRBCYP2C19CYP3A4CYP2D6
SCHEMBL365988 0.90 LMNA (0.65) LMNATHRBCYP2C19CYP3A4CYP2D6
SCHEMBL14023821 0.88 LMNA (0.62) LMNATHRBCYP2C19CYP3A4CYP2D6
SCHEMBL2830638 0.87 LMNA (0.73) LMNATHRBCYP2C19CYP3A4CYP2D6
SCHEMBL14023806 0.87 LMNA (0.68) LMNATHRBCYP2C19CYP3A4CYP2D6
SCHEMBL15610805 0.84 LMNA (0.51) LMNATHRBCYP2C19CYP3A4CYP2D6
SCHEMBL15024639 0.83 LMNA (0.80) LMNATHRBCYP2C19CYP3A4CYP2D6
SCHEMBL368130 0.83 LMNA (0.78) LMNATHRBCYP2C19CYP3A4CYP2D6
SCHEMBL367605 0.83 LMNA (0.62) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2793871-A1 COMPOUNDS AND METHODS FOR SELECTIVE IMAGING AND/OR ABLATION Auckland Uniservices Limited (NZ) 2014-10-29 EP disclosed
WO-2014007650-A1 COMPOUNDS AND METHODS FOR SELECTIVE IMAGING AND/OR ABLATION AUCKLAND UNISERVICES LIMITED (NZ) 2014-01-09 WO 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 LMNA 4469/4885THRB 1824/4885CYP2C19 340/4885

“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.