SCHEMBL367250

SCHEMBL367250

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
HPGD P15428 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HTT P42858 2/20 0.45
ALDH1A1 P00352 6/20 0.43
HKDC1 Q2TB90 1/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
GPR35 Q9HC97 1/20 0.35
TP53 P04637 1/20 0.34
POLB P06746 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 1/20 0.33
MAPT P10636 1/20 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
SCHEMBL3691170 0.93 KMT2A (0.53) KMT2AMEN1HPGDNPSR1HTT
SCHEMBL3688111 0.89 KMT2A (0.45) KMT2AMEN1HPGDNPSR1HTT
SCHEMBL366281 0.89 KMT2A (0.51) KMT2AMEN1HPGDNPSR1HTT
SCHEMBL3688736 0.88 KMT2A (0.55) KMT2AMEN1HPGDNPSR1HTT
SCHEMBL3692474 0.88 KMT2A (0.55) KMT2AMEN1HPGDNPSR1HTT
SCHEMBL3686829 0.88 KMT2A (0.50) KMT2AMEN1HPGDNPSR1HTT
SCHEMBL17191295 0.88 KMT2A (0.50) KMT2AMEN1HPGDNPSR1HTT
SCHEMBL3421733 0.85 ALDH1A1 (0.50) KMT2AMEN1HPGDNPSR1HTT
SCHEMBL3804270 0.83 KMT2A (0.48) KMT2AMEN1HPGDNPSR1HTT
SCHEMBL3688544 0.83 KMT2A (0.48) KMT2AMEN1HPGDNPSR1HTT

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010044685-A1 NITROPHENYL MUSTARD ALCOHOLS, THEIR CORRESPONDING PHOSPHATES AND THEIR USE AS TARGETED CYTOTOXIC AGENTS AUCKLAND UNISERVICES LIMITED (NZ) 2010-04-22 WO claimed
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 2224/4885MEN1 2708/4885HPGD 305/4885
US-20150299230-A1 Novel Prodrugs And Methods Of Use Thereof AKR1C3, AKR1C2, AKR1B1 KMT2A 2224/4885MEN1 2708/4885HPGD 305/4885
US-20170044191-A1 Novel Prodrugs And Methods Of Use Thereof AKR1C3, AKR1C2, AKR1B1 KMT2A 2224/4885MEN1 2708/4885HPGD 305/4885

“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.