SCHEMBL3218796

SCHEMBL3218796

Cc1ccc(C(=O)c2cc(C=CC(=O)NO)n(C)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 15/20 1.00
HDAC10 Q969S8 14/20 1.00
HDAC3 O15379 12/20 1.00
HDAC4 P56524 12/20 1.00
HDAC1 Q13547 12/20 1.00
HDAC7 Q8WUI4 12/20 1.00
HDAC2 Q92769 12/20 1.00
HDAC11 Q96DB2 12/20 1.00
HDAC6 Q9UBN7 12/20 1.00
HDAC9 Q9UKV0 12/20 1.00
HDAC5 Q9UQL6 12/20 1.00
ATM Q13315 2/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL3218780 1.00 HDAC8 (1.00) HDAC8HDAC10HDAC3HDAC4HDAC1
SCHEMBL4258833 0.88 HDAC8 (1.00) HDAC8HDAC10HDAC3HDAC4HDAC1
SCHEMBL996809 0.75 HDAC1 (0.60) HDAC8HDAC10HDAC3HDAC4HDAC1
SCHEMBL28881222 0.74 HDAC8 (0.77) HDAC8HDAC10HDAC3HDAC4HDAC1
SCHEMBL8131488 0.73 HDAC8 (1.00) HDAC8HDAC10HDAC3HDAC4HDAC1
SCHEMBL1249448 0.73 HDAC8 (1.00) HDAC8HDAC10HDAC3HDAC4HDAC1
SCHEMBL11731153 0.73 LMNA (0.59) HDAC8HDAC10HDAC3HDAC4HDAC1
SCHEMBL10457552 0.70 HDAC1 (0.67) HDAC8HDAC10HDAC3HDAC4HDAC1
SCHEMBL10449499 0.70 HDAC1 (0.67) HDAC8HDAC10HDAC3HDAC4HDAC1
SCHEMBL2073321 0.70 ATM (1.00) HDAC8HDAC10HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056522-A1 INTRAOCULAR PRESSURE-LOWERING AGENT COMPRISING COMPOUND HAVING HISTONE DEACETYLASE INHIBITOR EFFECT AS ACTIVE INGREDIENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-03-04 US claimed
EP-2135620-A1 OCULAR HYPOTENSIVE AGENT COMPRISING COMPOUND CAPABLE OF INHIBITING HISTONE DEACETYLASE AS ACTIVE INGREDIENT Santen Pharmaceutical Co., Ltd (JP) 2009-12-23 EP claimed
US-20100056522-A1 INTRAOCULAR PRESSURE-LOWERING AGENT COMPRISING COMPOUND HAVING HISTONE DEACETYLASE INHIBITOR EFFECT AS ACTIVE INGREDIENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-03-04 US disclosed
EP-2135620-A1 OCULAR HYPOTENSIVE AGENT COMPRISING COMPOUND CAPABLE OF INHIBITING HISTONE DEACETYLASE AS ACTIVE INGREDIENT Santen Pharmaceutical Co., Ltd (JP) 2009-12-23 EP 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 (1 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-20100056522-A1 INTRAOCULAR PRESSURE-LOWERING AGENT COMPRISING COMPOUND HAVING HISTONE DEACETYLASE INHIBITOR EFFECT AS ACTIVE INGREDIENT HDAC1, HDAC9, HDAC5 HDAC8 7/4885HDAC10 11/4885HDAC3 9/4885

“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.