SCHEMBL2516017

SCHEMBL2516017

Oc1ccc(CN2CCCN(Cc3ccc(O)c4ncccc34)CCNCCCNCC2)c2cccnc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.74
MAPT P10636 9/20 0.74
L3MBTL1 Q9Y468 7/20 0.74
LMNA P02545 5/20 0.74
ALOX12 P18054 5/20 0.74
NFKB1 P19838 4/20 0.74
NFKB2 Q00653 4/20 0.74
RELA Q04206 4/20 0.74
TP53 P04637 4/20 0.74
GAA P10253 4/20 0.74
ALDH1A1 P00352 4/20 0.74
BRD4 O60885 3/20 0.74
USP2 O75604 2/20 0.62
ALOX15 P16050 1/20 0.62
SMN1; SMN2 Q16637 5/20 0.56
HTT P42858 5/20 0.56
TDP1 Q9NUW8 3/20 0.56
NPSR1 Q6W5P4 3/20 0.56
OPRK1 P41145 1/20 0.56
KMT2A Q03164 5/20 0.56

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
SCHEMBL2518679 0.96 KDM4E (0.73) KDM4EMAPTL3MBTL1LMNAALOX12
SCHEMBL2525052 0.94 KDM4E (0.76) KDM4EMAPTL3MBTL1LMNAALOX12
SCHEMBL147299 0.94 KDM4E (0.75) KDM4EMAPTL3MBTL1LMNAALOX12
Hydrochloric Acid SCHEMBL5594440 0.92 KDM4E (0.73) KDM4EMAPTL3MBTL1LMNAALOX12
Hydrochloric Acid SCHEMBL5594444 0.92 KDM4E (0.73) KDM4EMAPTL3MBTL1LMNAALOX12
SCHEMBL2516009 0.92 KDM4E (0.67) KDM4EMAPTL3MBTL1LMNAALOX12
SCHEMBL5594566 0.88 KDM4E (0.89) KDM4EMAPTL3MBTL1LMNAALOX12
SCHEMBL24716091 0.87 KDM4E (0.97) KDM4EMAPTL3MBTL1LMNAALOX12
SCHEMBL30626619 0.87 KDM4E (0.97) KDM4EMAPTL3MBTL1LMNAALOX12
SCHEMBL5594386 0.86 KDM4E (1.00) KDM4EMAPTL3MBTL1LMNAALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120856-A1 Derivatives of the Aminated Hydroxyquinoline Class For Treating Cancers BIOPHARMED (FR) 2010-05-13 US claimed
US-8614230-B2 Derivatives of the aminated hydroxyquinoline class for treating cancers BIOPHARMED (FR) 2013-12-24 US disclosed
US-20130102630-A1 Derivatives of the Aminated Hydroxyquinoline Class For Treating Cancers BIOPHARMED (FR) 2013-04-25 US disclosed
US-8324243-B2 Derivatives of the aminated hydroxyquinoline class for treating cancers BIOPHARMED (FR) 2012-12-04 US disclosed
EP-2382193-A1 PPAR AGONIST COMPOSITIONS AND METHODS OF USE Biopharmed (FR) 2011-11-02 EP disclosed
US-20110251238-A1 PPAR AGONIST COMPOSITIONS AND METHODS OF USE BIOPHARMED (FR) 2011-10-13 US disclosed
WO-2010073235-A1 PPAR AGONIST COMPOSITIONS AND METHODS OF USE BIOPHARMED (FR) 2010-07-01 WO disclosed
US-20100120856-A1 Derivatives of the Aminated Hydroxyquinoline Class For Treating Cancers BIOPHARMED (FR) 2010-05-13 US 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-20100120856-A1 Derivatives of the Aminated Hydroxyquinoline Class For Treating Cancers HNMT, HRAS, NNMT KDM4E 1395/4885MAPT 4410/4885L3MBTL1 1433/4885
US-20130102630-A1 Derivatives of the Aminated Hydroxyquinoline Class For Treating Cancers HNMT, NQO1, NQO2 KDM4E 1779/4885MAPT 4538/4885L3MBTL1 1835/4885
US-20110251238-A1 PPAR AGONIST COMPOSITIONS AND METHODS OF USE PPARA, PPARG, PPARD KDM4E 4239/4885MAPT 4323/4885L3MBTL1 4433/4885

“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.