SCHEMBL366281

SCHEMBL366281

CCN(CCO)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N(CCBr)CCBr

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
HPGD P15428 2/20 0.51
MEN1 O00255 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HTT P42858 3/20 0.44
ALDH1A1 P00352 4/20 0.40
HKDC1 Q2TB90 1/20 0.39
KDM4E B2RXH2 3/20 0.38
MAPK1 P28482 3/20 0.37
MAPT P10636 3/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 3/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 2/20 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
SCHEMBL3804270 0.93 KMT2A (0.48) KMT2AHPGDMEN1NPSR1HTT
SCHEMBL3686829 0.92 KMT2A (0.50) KMT2AHPGDMEN1NPSR1HTT
SCHEMBL3694189 0.92 KMT2A (0.47) KMT2AHPGDMEN1NPSR1HTT
SCHEMBL3688122 0.90 KMT2A (0.42) KMT2AHPGDMEN1NPSR1HTT
SCHEMBL3807653 0.89 KMT2A (0.51) KMT2AHPGDMEN1NPSR1HTT
SCHEMBL367250 0.89 KMT2A (0.55) KMT2AHPGDMEN1NPSR1HTT
SCHEMBL3693640 0.85 KMT2A (0.45) KMT2AHPGDMEN1NPSR1HTT
SCHEMBL3691170 0.84 KMT2A (0.53) KMT2AHPGDMEN1NPSR1HTT
SCHEMBL17191295 0.83 KMT2A (0.50) KMT2AHPGDMEN1NPSR1HTT
SCHEMBL3689656 0.83 KMT2A (0.40) KMT2AHPGDMEN1NPSR1HTT

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 13 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-20180148463-A1 Novel Prodrugs And Methods Of Use Thereof Convert Pharmaceuticals SA (BE) 2018-05-31 US disclosed
US-9873710-B2 Prodrugs and methods of use thereof HEALTH INNOVATION VENTURES B.V. (NL) 2018-01-23 US disclosed
US-20170044191-A1 Novel Prodrugs And Methods Of Use Thereof Convert Pharmaceuticals SA (BE) 2017-02-16 US disclosed
US-20170044191-A1 Novel Prodrugs And Methods Of Use Thereof Convert Pharmaceuticals SA (BE) 2017-02-16 US disclosed
US-9505791-B2 Prodrugs and methods of use thereof HEALTH INNOVATION VENTURES B.V. (NL) 2016-11-29 US disclosed
US-9505791-B2 Prodrugs and methods of use thereof HEALTH INNOVATION VENTURES B.V. (NL) 2016-11-29 US disclosed
US-20150299230-A1 Novel Prodrugs And Methods Of Use Thereof Convert Pharmaceuticals SA (BE) 2015-10-22 US disclosed
US-20150299230-A1 Novel Prodrugs And Methods Of Use Thereof Convert Pharmaceuticals SA (BE) 2015-10-22 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
WO-2010044685-A1 NITROPHENYL MUSTARD ALCOHOLS, THEIR CORRESPONDING PHOSPHATES AND THEIR USE AS TARGETED CYTOTOXIC AGENTS AUCKLAND UNISERVICES LIMITED (NZ) 2010-04-22 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 (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-20180148463-A1 Novel Prodrugs And Methods Of Use Thereof AKR1C3, AKR1C2, AKR1B1 KMT2A 2224/4885HPGD 305/4885MEN1 2708/4885
US-20150299230-A1 Novel Prodrugs And Methods Of Use Thereof AKR1C3, AKR1C2, AKR1B1 KMT2A 2224/4885HPGD 305/4885MEN1 2708/4885
US-20170044191-A1 Novel Prodrugs And Methods Of Use Thereof AKR1C3, AKR1C2, AKR1B1 KMT2A 2224/4885HPGD 305/4885MEN1 2708/4885

“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.