SCHEMBL4821158

SCHEMBL4821158

O=C(/C=C/c1ccccc1)NCC#Cc1ccc(C(=O)NO)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.56
HDAC3 O15379 10/20 0.50
HDAC2 Q92769 9/20 0.50
KMT2A Q03164 1/20 0.49
NCOR2 Q9Y618 1/20 0.48
SOST Q9BQB4 1/20 0.48
MMP1 P03956 2/20 0.48
MMP2 P08253 2/20 0.48
MMP9 P14780 2/20 0.48
HDAC4 P56524 4/20 0.48
HDAC8 Q9BY41 4/20 0.48
HDAC6 Q9UBN7 4/20 0.48
HDAC7 Q8WUI4 3/20 0.47
HDAC9 Q9UKV0 3/20 0.47
HDAC5 Q9UQL6 3/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
EGFR P00533 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL4821166 1.00 HDAC1 (0.56) HDAC1HDAC3HDAC2KMT2ANCOR2
SCHEMBL4817975 0.88 KMT2A (0.53) HDAC1HDAC3HDAC2KMT2ANCOR2
SCHEMBL4251402 0.88 KMT2A (0.47) HDAC1HDAC3HDAC2KMT2ANCOR2
SCHEMBL5970411 0.88 HDAC1 (0.56) HDAC1HDAC3HDAC2KMT2ANCOR2
SCHEMBL4818285 0.83 SOST (0.59) HDAC1HDAC3HDAC2NCOR2SOST
SCHEMBL4815402 0.81 HDAC1 (0.50) HDAC1HDAC3HDAC2KMT2ANCOR2
SCHEMBL4816488 0.81 EGFR (0.53) HDAC1HDAC3HDAC2KMT2AMMP1
SCHEMBL4816483 0.81 EGFR (0.53) HDAC1HDAC3HDAC2KMT2AMMP1
SCHEMBL4815400 0.81 HDAC1 (0.50) HDAC1HDAC3HDAC2KMT2ANCOR2
SCHEMBL4811118 0.78 HDAC1 (0.50) HDAC1HDAC3HDAC2KMT2AHDAC4

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
EP-1656348-A1 ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARMACEUTICALS, INC. (US) 2006-05-17 EP claimed
US-20050131018-A1 Acetylene derivatives as inhibitors of histone deacetylase AXYS PHARMACEUTICALS, INC. (US) 2005-06-16 US claimed
WO-2005019174-A1 ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARMACEUTICALS, INC. (US) 2005-03-03 WO 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
US-20050131018-A1 Acetylene derivatives as inhibitors of histone deacetylase AXYS PHARMACEUTICALS, INC. (US) 2005-06-16 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-20080139547-A1 ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC10, HDAC2 HDAC1 1/4885HDAC3 6/4885HDAC2 3/4885
US-20050131018-A1 Acetylene derivatives as inhibitors of histone deacetylase HDAC1, HDAC10, HDAC2 HDAC1 1/4885HDAC3 6/4885HDAC2 3/4885

“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.