SCHEMBL2833658

SCHEMBL2833658

CC(=O)N1CCC(c2ccc(C(=O)Nc3ccccc3N)cc2)CC1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.78
HDAC2 Q92769 10/20 0.78
HDAC3 O15379 8/20 0.78
HDAC4 P56524 4/20 0.78
HDAC7 Q8WUI4 4/20 0.78
HDAC10 Q969S8 4/20 0.78
HDAC11 Q96DB2 4/20 0.78
HDAC8 Q9BY41 4/20 0.78
HDAC6 Q9UBN7 4/20 0.78
HDAC9 Q9UKV0 4/20 0.78
HDAC5 Q9UQL6 4/20 0.78
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
MAPK1 P28482 1/20 0.52
NCOR2 Q9Y618 1/20 0.51
BTK Q06187 1/20 0.51
PTGS1 P23219 1/20 0.49
KDM1A O60341 2/20 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
SCHEMBL2831810 0.88 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL2831350 0.84 HDAC1 (0.69) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL6528319 0.81 HDAC1 (0.63) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL2828468 0.80 HDAC1 (0.70) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL30864182 0.80 HDAC1 (0.70) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL213224 0.78 HDAC1 (0.60) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL13735120 0.77 HDAC1 (0.65) HDAC1HDAC2HDAC3MAPK1
SCHEMBL4640101 0.76 HDAC1 (0.73) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL4678839 0.76 HDAC1 (0.75) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL18361051 0.76 HDAC1 (0.54) HDAC1HDAC2HDAC3HDAC4HDAC7

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-8247562-B2 Benzamide derivatives useful as histone deacetylase inhibitors ASTRAZENECA AB (SE) 2012-08-21 US claimed
EP-1495002-B1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS ASTRAZENECA AB (SE) 2012-09-05 EP disclosed
US-8247562-B2 Benzamide derivatives useful as histone deacetylase inhibitors ASTRAZENECA AB (SE) 2012-08-21 US disclosed
US-20100331329-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS ASTRAZENECA AB (SE) 2010-12-30 US disclosed
CN-101805309-A Benzamide derivatives as histone deacetylase inhibitors ASTRAZENECA AB 2010-08-18 CN disclosed
US-20090029991-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS ASTRAZENECA AB (SE) 2009-01-29 US disclosed
US-20050171103-A1 Benzamide derivatives useful as histone deacetylase inhibitors ASTRAZENECA AB (SE) 2005-08-04 US disclosed
CN-1642915-A Benzamide derivatives useful as inhibitors of histone deacetylase ASTRAZENECA AB (SE) 2005-07-20 CN 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 (3 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-20050171103-A1 Benzamide derivatives useful as histone deacetylase inhibitors HDAC3, HDAC1, HDAC4 HDAC1 2/4885HDAC2 5/4885HDAC3 1/4885
US-20090029991-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC2 HDAC1 1/4885HDAC2 3/4885HDAC3 2/4885
US-20100331329-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC4 HDAC1 2/4885HDAC2 5/4885HDAC3 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.