SCHEMBL10144838

SCHEMBL10144838

O=C(NCC1CCNCC1)c1ccc2ccccc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.67
HDAC4 P56524 1/20 0.67
HDAC1 Q13547 1/20 0.67
HDAC7 Q8WUI4 1/20 0.67
HDAC2 Q92769 1/20 0.67
HDAC10 Q969S8 1/20 0.67
HDAC11 Q96DB2 1/20 0.67
HDAC8 Q9BY41 1/20 0.67
HDAC6 Q9UBN7 1/20 0.67
HDAC9 Q9UKV0 1/20 0.67
HDAC5 Q9UQL6 1/20 0.67
BCHE P06276 3/20 0.62
MAOB P27338 2/20 0.62
SMYD3 Q9H7B4 3/20 0.58
BRD4 O60885 1/20 0.53
SLC6A4 P31645 2/20 0.52
HTR4 Q13639 1/20 0.52
ACSS2 Q9NR19 1/20 0.52
CHRM1 P11229 2/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL3212441 0.85 CHRM1 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8343846 0.84 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3330915 0.83 SMN1; SMN2 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL24724241 0.82 MEN1 (0.56) HDAC6SMYD3BRD4CHRM1KMT2A
SCHEMBL12123931 0.81 SLC6A4 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29200503 0.79 KHK (0.60) SMYD3SLC6A4
SCHEMBL6600119 0.79 SMYD3 (0.56) MAOBSMYD3ACSS2NAMPT
SCHEMBL3017757 0.79 HDAC3 (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5365652 0.79 SMYD3 (0.57) HDAC6SMYD3BRD4CHRM1KMT2A
SCHEMBL30475500 0.78 HPGD (0.61) SMYD3BRD4HTR4RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394831-B2 Carbonylamino-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA, N.V. (BE) 2013-03-12 US disclosed
US-8394831-B2 Carbonylamino-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA, N.V. (BE) 2013-03-12 US disclosed
US-20120041001-A1 CARBONYLAMINO-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA, NV (BE) 2012-02-16 US disclosed
US-20120041001-A1 CARBONYLAMINO-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA, NV (BE) 2012-02-16 US disclosed
US-8071615-B2 Carbonylamino-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2011-12-06 US disclosed
US-8071615-B2 Carbonylamino-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2011-12-06 US disclosed
US-20090042920-A1 CARBONYLAMINO-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE VAN EMELEN KRISTOF 2009-02-12 US disclosed
US-20090042920-A1 CARBONYLAMINO-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE VAN EMELEN KRISTOF 2009-02-12 US disclosed
US-7446109-B2 Carbonylamino-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2008-11-04 US disclosed
US-7446109-B2 Carbonylamino-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2008-11-04 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-20090042920-A1 CARBONYLAMINO-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC11 HDAC3 2/4885HDAC4 8/4885HDAC1 1/4885
US-20120041001-A1 CARBONYLAMINO-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC11 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.