Sugi Predict

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SCHEMBL4819147

SCHEMBL4819147

CC(C)(C#Cc1ccc(C(=O)NO)cc1)NC(=O)c1cc2ccccc2s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 13/20 0.56
▸ HDAC2 Q92769 4/20 0.56
▸ HDAC3 O15379 3/20 0.56
▸ HDAC6 Q9UBN7 3/20 0.56
▸ HDAC4 P56524 2/20 0.56
▸ HDAC7 Q8WUI4 2/20 0.56
▸ HDAC10 Q969S8 2/20 0.56
▸ HDAC11 Q96DB2 2/20 0.56
▸ HDAC8 Q9BY41 2/20 0.56
▸ HDAC9 Q9UKV0 2/20 0.56
▸ HDAC5 Q9UQL6 2/20 0.56
▸ RAB9A P51151 1/20 0.42
▸ NCOR2 Q9Y618 1/20 0.41
▸ BCL2L1 Q07817 1/20 0.40
▸ MAPK14 Q16539 1/20 0.40
▸ TMIGD3 P0DMS9 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ STAT1 P42224 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ SENP8 Q96LD8 1/20 0.40

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
SCHEMBL4817432 0.82 HDAC1 (0.59) HDAC1HDAC2HDAC3HDAC6HDAC4
SCHEMBL4819669 0.80 ALDH1A1 (0.58) HDAC1HDAC2HDAC3HDAC6HDAC4
SCHEMBL4819143 0.78 HDAC1 (0.53) HDAC1HDAC2HDAC3HDAC6HDAC4
SCHEMBL4819571 0.78 HDAC1 (0.56) HDAC1HDAC2HDAC3HDAC6HDAC4
SCHEMBL4819566 0.78 HDAC1 (0.56) HDAC1HDAC2HDAC3HDAC6HDAC4
SCHEMBL4814912 0.77 HDAC1 (0.55) HDAC1HDAC2HDAC3HDAC6HDAC4
SCHEMBL4813798 0.76 TDP1 (0.47) HDAC1HDAC2HDAC3HDAC6HDAC4
SCHEMBL29874896 0.75 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC6HDAC4
SCHEMBL999904 0.75 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC6HDAC4
SCHEMBL5970403 0.73 HDAC1 (0.59) HDAC1HDAC2HDAC3HDAC6HDAC4

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 6 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 disclosed
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
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 1/4885HDAC2 3/4885HDAC3 6/4885
US-20050131018-A1 Acetylene derivatives as inhibitors of histone deacetylase HDAC1, HDAC10, HDAC2 HDAC1 1/4885HDAC2 3/4885HDAC3 6/4885

“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.