SCHEMBL2552495

SCHEMBL2552495

O=C(O)Nc1cccc2cc3ccc4cc5cc6ccccc6cc5cc4c3cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.55
ALDH1A1 P00352 4/20 0.55
GAA P10253 3/20 0.55
MAPT P10636 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
TRPV1 Q8NER1 7/20 0.49
RAB9A P51151 3/20 0.45
CYP1A2 P05177 2/20 0.45
NPC1 O15118 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
PLAU P00749 1/20 0.42

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
SCHEMBL2555605 0.98 KDM4E (0.57) KDM4EALDH1A1GAAMAPTMEN1
SCHEMBL2555495 0.98 KDM4E (0.57) KDM4EALDH1A1GAAMAPTMEN1
SCHEMBL8655906 0.93 KDM4E (0.62) KDM4EALDH1A1GAAMAPTMEN1
SCHEMBL2555596 0.84 KDM4E (0.47) KDM4EALDH1A1GAAMAPTMEN1
SCHEMBL28140458 0.80 KDM4E (0.72) KDM4EALDH1A1GAAMAPTMEN1
SCHEMBL1566759 0.80 KDM4E (0.62) KDM4EALDH1A1GAAMAPTMEN1
Bromide SCHEMBL7030618 0.78 KDM4E (0.60) KDM4EALDH1A1GAAMAPTMEN1
Fluoride SCHEMBL7034780 0.78 KDM4E (0.60) KDM4EALDH1A1GAAMAPTMEN1
Hydrochloric Acid SCHEMBL7036095 0.78 KDM4E (0.60) KDM4EALDH1A1GAAMAPTMEN1
Iodide SCHEMBL7033986 0.78 KDM4E (0.60) KDM4EALDH1A1GAAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8999942-B2 Polyol modified aminoglycoside-lipid conjugates UNIVERSITY OF MANITOBA (CA) 2015-04-07 US disclosed
US-20130157969-A1 POLYOL MODIFIED AMINOGLYCOSIDE-LIPID CONJUGATES UNIVERSITY OF MANITOBA (CA) 2013-06-20 US disclosed
EP-2556079-A2 POLYOL MODIFIED AMINOGLYCOSIDE-LIPID CONJUGATES University Of Manitoba (CA) 2013-02-13 EP disclosed
WO-2011124986-A2 POLYOL MODIFIED AMINOGLYCOSIDE-LIPID CONJUGATES UNIVERSITY OF MANITOBA (CA) 2011-10-13 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-20130157969-A1 POLYOL MODIFIED AMINOGLYCOSIDE-LIPID CONJUGATES AADAC, DDOST, AARS1 KDM4E 2382/4885ALDH1A1 3346/4885GAA 129/4885

“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.