SCHEMBL3270129

SCHEMBL3270129

CN1CCN(c2ccc(C(=O)C=Cc3ccc(C=CC(=O)O)nc3)cc2)CC1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 12/20 0.80
HDAC4 P56524 12/20 0.80
HDAC1 Q13547 12/20 0.80
HDAC7 Q8WUI4 12/20 0.80
HDAC2 Q92769 12/20 0.80
HDAC10 Q969S8 12/20 0.80
HDAC11 Q96DB2 12/20 0.80
HDAC8 Q9BY41 12/20 0.80
HDAC6 Q9UBN7 12/20 0.80
HDAC9 Q9UKV0 12/20 0.80
HDAC5 Q9UQL6 12/20 0.80
ESR1 P03372 1/20 0.57
MAPT P10636 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
CTSL P07711 2/20 0.49
CTSB P07858 2/20 0.49
LMNA P02545 1/20 0.49
MAOB P27338 2/20 0.48
MEN1 O00255 1/20 0.48

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
SCHEMBL3270120 1.00 HDAC3 (0.80) HDAC3HDAC4HDAC1HDAC7HDAC2
Trifluoroacetic Acid SCHEMBL1482089 0.94 HDAC3 (0.72) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1482254 0.89 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1482253 0.89 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27878059 0.89 HDAC3 (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL25197132 0.88 HDAC3 (0.79) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL4352025 0.88 HDAC3 (0.98) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL1483480 0.88 HDAC3 (0.98) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL1483476 0.88 HDAC3 (0.98) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1483439 0.87 HDAC3 (0.80) HDAC3HDAC4HDAC1HDAC7HDAC2

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 5 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
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
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 (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-20100113438-A1 CLASS OF HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC11 HDAC3 1/4885HDAC4 5/4885HDAC1 2/4885

“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.