SCHEMBL1320110

SCHEMBL1320110

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
ESR1 P03372 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
XPO1 O14980 1/20 0.32
NR1H4 Q96RI1 2/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 1/20 0.32
NR1I2 O75469 1/20 0.32
PGR P06401 1/20 0.32
CYP3A4 P08684 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CYP2C9 P11712 1/20 0.32
SLC6A2 P23975 1/20 0.32
TBXAS1 P24557 1/20 0.32
CYP2C19 P33261 1/20 0.32
DRD3 P35462 1/20 0.32
OPRK1 P41145 1/20 0.32
PDE4D Q08499 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL1320108 1.00 KDM4E (0.33) KDM4EESR1KMT2ASMN1; SMN2XPO1
SCHEMBL1580172 0.81 KDM4E (0.42) KDM4EESR1SMN1; SMN2LMNAHDAC3
SCHEMBL1580175 0.81 KDM4E (0.42) KDM4EESR1SMN1; SMN2LMNAHDAC3
SCHEMBL18706679 0.79 LMNA (0.37) KDM4EESR1SMN1; SMN2XPO1LMNA
SCHEMBL18706675 0.79 LMNA (0.37) KDM4EESR1SMN1; SMN2XPO1LMNA
SCHEMBL16642332 0.77 ALDH1A1 (0.38) KDM4EESR1SMN1; SMN2XPO1LMNA
SCHEMBL30288729 0.77 ALDH1A1 (0.38) KDM4EESR1SMN1; SMN2XPO1LMNA
SCHEMBL15278593 0.77 XPO1 (0.34) KDM4EESR1KMT2ASMN1; SMN2XPO1
SCHEMBL19900075 0.77 ALDH1A1 (0.38) KDM4EESR1SMN1; SMN2XPO1LMNA
SCHEMBL732497 0.77 TRPA1 (0.43) KDM4EKMT2ASMN1; SMN2XPO1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1814850-B9 NEW HISTONE DEACETYLASES INHIBITORS DAC SRL (IT) 2015-02-25 EP disclosed
EP-1814850-B1 NEW HISTONE DEACETYLASES INHIBITORS DAC SRL (IT) 2013-07-03 EP disclosed
US-8242175-B2 Class of histone deacetylase inhibitors DAC S.R.L. (IT) 2012-08-14 US disclosed
US-8058273-B2 Histone deacetylases inhibitors DAC S.R.L. (IT) 2011-11-15 US disclosed
US-20110077247-A1 CLASS OF HISTONE DEACETYLASE INHIBITORS DAC S.r.I. (IT) 2011-03-31 US disclosed
US-7803800-B2 Histone deacetylases inhibitors DAC S.R.L. (IT) 2010-09-28 US disclosed
US-20100240660-A1 NEW HISTONE DEACETYLASES INHIBITORS DAC S.R.L. (IT) 2010-09-23 US disclosed
EP-2049508-B1 N-HYDROXY-3-(4-{3-PHENYL-3-OXO-PROPENYL}-PHENYL)-ACRYLAMIDE DERIVATIVES AND RELATED COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS FOR THE TREATMENT OF CANCER DAC SRL (IT) 2010-06-09 EP disclosed
US-20100113438-A1 CLASS OF HISTONE DEACETYLASE INHIBITORS DAC S.R.L. (IT) 2010-05-06 US disclosed
EP-2049508-A2 N-HYDROXY-3-(4-{3-PHENYL-3-OXO-PROPENYL}-PHENYL)-ACRYLAMIDE DERIVATIVES AND RELATED COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS FOR THE TREATMENT OF CANCER DAC S.r.l. (IT) 2009-04-22 EP disclosed
US-20080096889-A1 Histone Deacetylases Inhibitors GENEXTRA S.P.A. (IT) 2008-04-24 US disclosed
WO-2007113249-A2 N-HYDROXY-3-(4-{3-PHENYL-S-OXO-PROPENYL}-PHENYL)-ACRYLAMIDE DERIVATIVES AND RELATED COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS FOR THE TREATMENT OF CANCER DAC S.R.L. (IT) 2007-10-11 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 (4 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-20110077247-A1 CLASS OF HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC11 KDM4E 259/4885ESR1 1469/4885KMT2A 154/4885
US-20100113438-A1 CLASS OF HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC11 KDM4E 259/4885ESR1 1469/4885KMT2A 154/4885
US-20100240660-A1 NEW HISTONE DEACETYLASES INHIBITORS HDAC1, HDAC3, HDAC11 KDM4E 170/4885ESR1 3961/4885KMT2A 51/4885
US-20080096889-A1 Histone Deacetylases Inhibitors HDAC1, HDAC3, HDAC11 KDM4E 163/4885ESR1 3824/4885KMT2A 51/4885

“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.