SCHEMBL2516006

SCHEMBL2516006

Oc1ccc(CN(Cc2ccccc2)Cc2ccc(O)c3ncccc23)c2cccnc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.69
KDM4E B2RXH2 10/20 0.68
L3MBTL1 Q9Y468 5/20 0.63
ALOX15 P16050 3/20 0.63
CYP1A2 P05177 1/20 0.63
CYP2D6 P10635 1/20 0.63
HIF1A Q16665 1/20 0.63
HTT P42858 4/20 0.61
NPC1 O15118 4/20 0.61
LMNA P02545 3/20 0.61
TP53 P04637 3/20 0.61
RAB9A P51151 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
MAPT P10636 3/20 0.61
ALDH1A1 P00352 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
POLB P06746 1/20 0.61
TSHR P16473 1/20 0.61
MAPK1 P28482 1/20 0.61
GAA P10253 1/20 0.60

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
SCHEMBL2519523 1.00 PAX8 (0.69) PAX8KDM4EL3MBTL1ALOX15CYP1A2
SCHEMBL2519345 0.91 KDM4E (0.72) PAX8KDM4EL3MBTL1ALOX15CYP1A2
SCHEMBL2519988 0.88 KMT2A (0.60) PAX8KDM4EL3MBTL1ALOX15HTT
SCHEMBL2519855 0.84 BRD4 (0.62) PAX8KDM4EL3MBTL1HTTNPC1
SCHEMBL2516487 0.84 PAX8 (0.53) PAX8KDM4EL3MBTL1ALOX15CYP1A2
SCHEMBL5594514 0.82 KDM4E (0.64) PAX8KDM4EL3MBTL1HTTNPC1
SCHEMBL1520610 0.82 PAX8 (1.00) PAX8KDM4EL3MBTL1ALOX15CYP1A2
SCHEMBL2523327 0.81 KDM4E (0.49) PAX8KDM4EL3MBTL1HTTNPC1
SCHEMBL2523321 0.81 KDM4E (0.61) PAX8KDM4EL3MBTL1ALOX15CYP1A2
SCHEMBL2519409 0.81 KDM4E (0.68) PAX8KDM4EL3MBTL1ALOX15CYP1A2

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
US-8614230-B2 Derivatives of the aminated hydroxyquinoline class for treating cancers BIOPHARMED (FR) 2013-12-24 US claimed
US-20130102630-A1 Derivatives of the Aminated Hydroxyquinoline Class For Treating Cancers BIOPHARMED (FR) 2013-04-25 US claimed
US-8324243-B2 Derivatives of the aminated hydroxyquinoline class for treating cancers BIOPHARMED (FR) 2012-12-04 US claimed
EP-2382193-A1 PPAR AGONIST COMPOSITIONS AND METHODS OF USE Biopharmed (FR) 2011-11-02 EP claimed
US-20110251238-A1 PPAR AGONIST COMPOSITIONS AND METHODS OF USE BIOPHARMED (FR) 2011-10-13 US claimed
WO-2010073235-A1 PPAR AGONIST COMPOSITIONS AND METHODS OF USE BIOPHARMED (FR) 2010-07-01 WO claimed
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 PAX8 3532/4885KDM4E 1395/4885L3MBTL1 1433/4885
US-20130102630-A1 Derivatives of the Aminated Hydroxyquinoline Class For Treating Cancers HNMT, NQO1, NQO2 PAX8 4053/4885KDM4E 1779/4885L3MBTL1 1835/4885
US-20110251238-A1 PPAR AGONIST COMPOSITIONS AND METHODS OF USE PPARA, PPARG, PPARD PAX8 467/4885KDM4E 4239/4885L3MBTL1 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.