SCHEMBL1482286

SCHEMBL1482286

CC(=O)c1ccc(CC2CCN(C)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
MAPT P10636 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
CCR3 P51677 1/20 0.52
CCR5 P51681 1/20 0.51
LMNA P02545 2/20 0.49
GAA P10253 1/20 0.48
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
IKBKE Q14164 1/20 0.46
TBK1 Q9UHD2 1/20 0.46

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
Hydrochloric Acid SCHEMBL1482303 0.98 POLB (0.56) POLBMAPTNPSR1CCR3CCR5
SCHEMBL1230853 0.87 MEN1 (0.58) POLBMAPTNPSR1GAAKMT2A
SCHEMBL9392139 0.86 KMT2A (0.57) POLBMAPTNPSR1CCR3CCR5
SCHEMBL4040584 0.86 GAA (0.64) POLBMAPTNPSR1CCR5GAA
SCHEMBL610550 0.84 POLB (0.42) POLBMAPTNPSR1CCR3GAA
SCHEMBL31276938 0.83 KMT2A (0.59) POLBMAPTNPSR1CCR3CCR5
SCHEMBL11184150 0.83 KMT2A (0.53) POLBMAPTNPSR1CCR3CCR5
SCHEMBL29187174 0.82 MLYCD (0.47) LMNAGAAKMT2AMEN1IKBKE
SCHEMBL31276700 0.81 KMT2A (0.52) POLBMAPTNPSR1CCR3CCR5
SCHEMBL25909564 0.81 KMT2A (0.52) POLBMAPTNPSR1CCR3CCR5

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-8242175-B2 Class of histone deacetylase inhibitors DAC S.R.L. (IT) 2012-08-14 US disclosed
US-8242175-B2 Class of histone deacetylase inhibitors DAC S.R.L. (IT) 2012-08-14 US disclosed
US-8242175-B2 Class of histone deacetylase inhibitors DAC S.R.L. (IT) 2012-08-14 US disclosed
US-20110077247-A1 CLASS OF HISTONE DEACETYLASE INHIBITORS DAC S.r.I. (IT) 2011-03-31 US disclosed
US-20110077247-A1 CLASS OF HISTONE DEACETYLASE INHIBITORS DAC S.r.I. (IT) 2011-03-31 US disclosed
US-20110077247-A1 CLASS OF HISTONE DEACETYLASE INHIBITORS DAC S.r.I. (IT) 2011-03-31 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
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
US-20100113438-A1 CLASS OF HISTONE DEACETYLASE INHIBITORS DAC S.R.L. (IT) 2010-05-06 US 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
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
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 (2 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 POLB 1213/4885MAPT 4648/4885NPSR1 618/4885
US-20100113438-A1 CLASS OF HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC11 POLB 1213/4885MAPT 4648/4885NPSR1 618/4885

“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.