SCHEMBL4916267

SCHEMBL4916267

O=[N+]([O-])c1cc([N+](=O)[O-])c(N2CCOCC2)c(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
POLB P06746 3/20 0.48
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 6/20 0.45
TDP1 Q9NUW8 3/20 0.45
MAPK1 P28482 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
SLC6A9 P48067 2/20 0.44
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 3/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
PKM P14618 1/20 0.43
SLC6A5 Q9Y345 1/20 0.41
SOS1 Q07889 1/20 0.41

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
SCHEMBL13991068 0.84 KMT2A (0.46) KMT2AMEN1POLBHTTMAPT
SCHEMBL4915691 0.84 ALDH1A1 (0.46) KMT2AMEN1POLBHTTMAPT
SCHEMBL4922086 0.84 SIRT6 (0.59) KMT2AMEN1POLBL3MBTL1MAPT
SCHEMBL13991071 0.81 MEN1 (0.41) KMT2AMEN1POLBHTTL3MBTL1
SCHEMBL4918800 0.81 MAPT (0.47) KMT2AMEN1POLBL3MBTL1MAPT
SCHEMBL13991135 0.81 MEN1 (0.43) KMT2AMEN1POLBHTTL3MBTL1
SCHEMBL4917191 0.80 ALDH1A1 (0.48) KMT2AMEN1POLBMAPTTDP1
SCHEMBL13991066 0.79 CYP2C9 (0.48) KMT2AMEN1POLBHTTMAPT
SCHEMBL11563388 0.78 HTT (0.52) KMT2APOLBHTTL3MBTL1MAPT
SCHEMBL13991138 0.77 CYP2C9 (0.44) KMT2AMEN1POLBMAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080317806-A1 Antiparasitic Compounds MURDOCH UNIVERSITY (AU) 2008-12-25 US claimed
EP-1871743-A1 ANTIPARASITIC COMPOUNDS Murdoch University (AU) 2008-01-02 EP claimed
WO-2006108224-A1 ANTIPARASITIC COMPOUNDS MURDOCH UNIVERSITY (AU) 2006-10-19 WO claimed
US-20080317806-A1 Antiparasitic Compounds MURDOCH UNIVERSITY (AU) 2008-12-25 US disclosed
EP-1871743-A1 ANTIPARASITIC COMPOUNDS Murdoch University (AU) 2008-01-02 EP disclosed
WO-2006108224-A1 ANTIPARASITIC COMPOUNDS MURDOCH UNIVERSITY (AU) 2006-10-19 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-20080317806-A1 Antiparasitic Compounds CYCS, CBR3, CBR1 KMT2A 2642/4885MEN1 2976/4885POLB 1509/4885

“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.