SCHEMBL12295671

SCHEMBL12295671

O=C(NOC1CCCCO1)c1ccc(N2CCN(C(/C=C/c3ccc(F)cc3)CO)CC2)nc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 11/20 0.54
HDAC4 P56524 11/20 0.54
HDAC1 Q13547 11/20 0.54
HDAC7 Q8WUI4 11/20 0.54
HDAC2 Q92769 11/20 0.54
HDAC10 Q969S8 11/20 0.54
HDAC11 Q96DB2 11/20 0.54
HDAC8 Q9BY41 11/20 0.54
HDAC6 Q9UBN7 11/20 0.54
HDAC9 Q9UKV0 11/20 0.54
HDAC5 Q9UQL6 11/20 0.54
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGDS O60760 3/20 0.40
P2RX3 P56373 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
TGFBR1 P36897 1/20 0.38

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
SCHEMBL8274095 0.91 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12295657 0.91 HDAC3 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12295630 0.84 HDAC3 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8237585 0.83 HDAC3 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8274088 0.82 HDAC3 (0.78) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8272327 0.78 HDAC3 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9883399 0.76 HPGD (0.50) HDAC1ALDH1A1HPGDSMN1; SMN2HPGDS
SCHEMBL12327877 0.76 HDAC3 (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12017426 0.76 RAB9A (0.52) HDAC1HDAC6ALDH1A1HPGDSMN1; SMN2
SCHEMBL12295609 0.76 HPGDS (0.56) HDAC3HDAC1HDAC2HDAC10HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426416-B2 Substituted propenyl piperazine derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA, N.V. (BE) 2013-04-23 US disclosed
US-8426416-B2 Substituted propenyl piperazine derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA, N.V. (BE) 2013-04-23 US disclosed
US-20110237585-A1 SUBSTITUTED PROPENYL PIPERAZINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2011-09-29 US disclosed
US-20110237585-A1 SUBSTITUTED PROPENYL PIPERAZINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2011-09-29 US disclosed
US-7947830-B2 Substituted propenyl piperazine derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2011-05-24 US disclosed
US-7947830-B2 Substituted propenyl piperazine derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2011-05-24 US disclosed
US-20070135424-A1 SUBSTITUTED PROPENYL PIPERAZINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN-CILAG (BE) 2007-06-14 US disclosed
US-20070135424-A1 SUBSTITUTED PROPENYL PIPERAZINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN-CILAG (BE) 2007-06-14 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 (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-20070135424-A1 SUBSTITUTED PROPENYL PIPERAZINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC2 HDAC3 2/4885HDAC4 8/4885HDAC1 1/4885
US-20110237585-A1 SUBSTITUTED PROPENYL PIPERAZINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC2 HDAC3 2/4885HDAC4 8/4885HDAC1 1/4885

“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.