SCHEMBL12295609

SCHEMBL12295609

O=C(NOC1CCCCO1)c1ccc(N2CCNCC2)nc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 5/20 0.56
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 1/20 0.49
KCNH2 Q12809 2/20 0.46
HDAC2 Q92769 6/20 0.45
HDAC3 O15379 4/20 0.45
HDAC1 Q13547 5/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
USP30 Q70CQ3 1/20 0.43

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
SCHEMBL12017426 0.88 RAB9A (0.52) HPGDSHPGDSMN1; SMN2ALDH1A1HDAC1
SCHEMBL8237785 0.86 HDAC6 (0.43) HPGDSHPGDSMN1; SMN2ALDH1A1HDAC2
SCHEMBL9883399 0.86 HPGD (0.50) HPGDSHPGDSMN1; SMN2ALDH1A1HDAC1
SCHEMBL26186317 0.79 HDAC1 (0.48) HPGDSMN1; SMN2ALDH1A1HDAC1HDAC6
SCHEMBL6769761 0.78 HPGDS (0.70) HPGDSKCNH2USP30
SCHEMBL12295616 0.77 HDAC1 (0.45) HPGDSHPGDSMN1; SMN2ALDH1A1HDAC1
SCHEMBL15341327 0.76 ALDH1A1 (0.42) HPGDSHPGDSMN1; SMN2ALDH1A1HDAC2
SCHEMBL9883383 0.76 SMN1; SMN2 (0.43) HPGDSHPGDSMN1; SMN2ALDH1A1HDAC1
SCHEMBL12295671 0.76 HDAC3 (0.54) HPGDSHPGDSMN1; SMN2ALDH1A1HDAC2
SCHEMBL29115498 0.75 HPGDS (0.63) HPGDSHPGDSMN1; SMN2ALDH1A1KCNH2

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-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-7888360-B2 Pyridine and pyrimidine derivatives as inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2011-02-15 US disclosed
US-7884105-B2 2-(N'-2-amino-3,4-dioxocyclobutenyl)-N-piperazinyl)-pyrimidine-5-hydroxamic acid derivatives; antiproliferative, anticarcinogenic, and antitumor agents; psoriasis; skin, respiratory system, psychological, and genetic disorders; transplant rejection; Alzheimer's and Parkinson's disease; vision defects JANSSEN PHARMACEUTICA, N.V. (BE) 2011-02-08 US disclosed
US-20090036463-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-02-05 US disclosed
US-20080255140-A1 Squaric Acid Derivatives as Inhibitors of Histone Deacetylase JANSSEN PHARMACEUTICA, N.V. (BE) 2008-10-16 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 (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-20090036463-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 HPGDS 906/4885HPGD 323/4885SMN1; SMN2 4233/4885
US-20080255140-A1 Squaric Acid Derivatives as Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC3 HPGDS 1200/4885HPGD 480/4885SMN1; SMN2 2175/4885
US-20070135424-A1 SUBSTITUTED PROPENYL PIPERAZINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC2 HPGDS 1393/4885HPGD 734/4885SMN1; SMN2 4065/4885
US-20110237585-A1 SUBSTITUTED PROPENYL PIPERAZINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC2 HPGDS 1393/4885HPGD 734/4885SMN1; SMN2 4065/4885

“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.