SCHEMBL4820153

SCHEMBL4820153

O=C(NCC#Cc1ccc(C(=O)NO)cc1)Nc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.55
HDAC2 Q92769 8/20 0.55
HDAC6 Q9UBN7 9/20 0.55
HDAC8 Q9BY41 7/20 0.55
SOST Q9BQB4 1/20 0.50
HDAC3 O15379 4/20 0.45
HDAC4 P56524 4/20 0.45
HDAC7 Q8WUI4 4/20 0.45
HDAC10 Q969S8 4/20 0.45
HDAC11 Q96DB2 4/20 0.45
HDAC9 Q9UKV0 4/20 0.45
HDAC5 Q9UQL6 4/20 0.45
NAMPT P43490 1/20 0.44
SIRT1 Q96EB6 1/20 0.44

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
SCHEMBL4815818 0.87 HDAC1 (0.48) HDAC1HDAC2HDAC6HDAC8SOST
SCHEMBL4252241 0.87 SOST (0.42) HDAC1HDAC2HDAC6HDAC8SOST
SCHEMBL4818754 0.85 MEN1 (0.52) HDAC1HDAC2HDAC6HDAC8HDAC3
SCHEMBL4818285 0.85 SOST (0.59) HDAC1HDAC2HDAC6HDAC8SOST
SCHEMBL31680548 0.81 SOST (0.55) HDAC2HDAC6HDAC8SOSTSIRT1
SCHEMBL4810255 0.77 HDAC1 (0.52) HDAC1HDAC2HDAC6HDAC8SOST
SCHEMBL4821166 0.77 HDAC1 (0.56) HDAC1HDAC2HDAC6HDAC8SOST
SCHEMBL4821158 0.77 HDAC1 (0.56) HDAC1HDAC2HDAC6HDAC8SOST
SCHEMBL4257479 0.75 CNR1 (0.45) HDAC1HDAC6NAMPT
SCHEMBL4250771 0.75 MEN1 (0.49) HDAC6HDAC8HDAC3NAMPT

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-20080139547-A1 ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2008-06-12 US claimed
US-7368572-B2 Acetylene derivatives as inhibitors of histone deacetylase PHARMACYCLICS, INC. (US) 2008-05-06 US claimed
EP-1656348-B1 ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARM INC (US) 2007-02-07 EP claimed
US-20050131018-A1 Acetylene derivatives as inhibitors of histone deacetylase AXYS PHARMACEUTICALS, INC. (US) 2005-06-16 US claimed
US-20080139547-A1 ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2008-06-12 US disclosed
US-7368572-B2 Acetylene derivatives as inhibitors of histone deacetylase PHARMACYCLICS, INC. (US) 2008-05-06 US disclosed
EP-1656348-B1 ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARM INC (US) 2007-02-07 EP disclosed
EP-1656348-A1 ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARMACEUTICALS, INC. (US) 2006-05-17 EP disclosed
US-20050131018-A1 Acetylene derivatives as inhibitors of histone deacetylase AXYS PHARMACEUTICALS, INC. (US) 2005-06-16 US disclosed
WO-2005019174-A1 ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARMACEUTICALS, INC. (US) 2005-03-03 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 (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-20080139547-A1 ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC10, HDAC2 HDAC1 1/4885HDAC2 3/4885HDAC6 10/4885
US-20050131018-A1 Acetylene derivatives as inhibitors of histone deacetylase HDAC1, HDAC10, HDAC2 HDAC1 1/4885HDAC2 3/4885HDAC6 10/4885

“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.