SCHEMBL1580175

SCHEMBL1580175

COC(OC)c1ccc(C=CC(=O)O)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.42
MAPK1 P28482 2/20 0.42
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.39
ATM Q13315 1/20 0.39
P4HTM Q9NXG6 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC3 O15379 3/20 0.36
HDAC4 P56524 3/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC8 Q9BY41 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36
GAA P10253 1/20 0.35
SNCA P37840 2/20 0.35
ESR1 P03372 3/20 0.35

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
SCHEMBL1580172 1.00 KDM4E (0.42) KDM4EMAPK1LMNATHRBATM
SCHEMBL1320110 0.81 KDM4E (0.33) KDM4ELMNAALDH1A1SMN1; SMN2HDAC3
SCHEMBL1319432 0.78 KCNJ1 (0.36) ALDH1A1
SCHEMBL3858925 0.77 KDM4E (0.66) KDM4EMAPK1LMNATHRBATM
SCHEMBL3857561 0.77 KDM4E (0.66) KDM4EMAPK1LMNATHRBATM
SCHEMBL1885751 0.76
SCHEMBL1124202 0.76 THRB (0.59) KDM4EMAPK1LMNATHRBATM
SCHEMBL1124205 0.76 THRB (0.59) KDM4EMAPK1LMNATHRBATM
SCHEMBL31108226 0.73 KDM4E (0.53) KDM4EMAPK1LMNAP4HTMALDH1A1
SCHEMBL27080246 0.73 KDM4E (0.53) KDM4EMAPK1LMNAP4HTMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2310364-B1 HETEROCYCLIC DERIVATIVES AS HDAC INHIBITORS DAC SRL (IT) 2013-01-02 EP disclosed
US-20110105474-A1 HETEROCYCLIC DERIVATIVES AS HDAC INHIBITORS DAC S.R.L. 2011-05-05 US disclosed
EP-2310364-A1 HETEROCYCLIC DERIVATIVES AS HDAC INHIBITORS DAC S.r.l. (IT) 2011-04-20 EP disclosed
WO-2009150129-A1 HETEROCYCLIC DERIVATIVES AS HDAC INHIBITORS DAC S.R.L. (IT) 2009-12-17 WO disclosed
EP-2133334-A1 Heterocyclic derivatives as HDAC inhibitors DAC S.r.l. (IT) 2009-12-16 EP disclosed
EP-1814850-A1 NEW HISTONE DEACETYLASES INHIBITORS DAC S.R.L. (IT) 2007-08-08 EP disclosed
WO-2006037761-A1 NEW HISTONE DEACETYLASES INHIBITORS DAC S.R.L. (IT) 2006-04-13 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-20110105474-A1 HETEROCYCLIC DERIVATIVES AS HDAC INHIBITORS HDAC3, HDAC1, HDAC5 KDM4E 142/4885MAPK1 1193/4885LMNA 1167/4885

“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.