SCHEMBL3229396

SCHEMBL3229396

Nc1ccccc1NC(=O)c1ccc(C(N)c2nccc(-c3cccnc3)n2)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.68
HDAC2 Q92769 7/20 0.65
HDAC3 O15379 7/20 0.65
HDAC11 Q96DB2 4/20 0.65
HDAC8 Q9BY41 4/20 0.65
HDAC6 Q9UBN7 4/20 0.65
NCOR1 O75376 3/20 0.65
CYP3A4 P08684 1/20 0.65
NCOR2 Q9Y618 1/20 0.65
ABL1 P00519 4/20 0.55
PDGFRB P09619 4/20 0.55
KDR P35968 4/20 0.55
HDAC4 P56524 3/20 0.55
HDAC7 Q8WUI4 3/20 0.55
HDAC10 Q969S8 3/20 0.55
HDAC9 Q9UKV0 3/20 0.55
HDAC5 Q9UQL6 3/20 0.55
NAMPT P43490 1/20 0.51

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
SCHEMBL5584418 0.90 HDAC1 (0.68) HDAC1HDAC2HDAC3HDAC11HDAC8
SCHEMBL1064065 0.82 HDAC1 (0.60) HDAC1HDAC2HDAC3HDAC11HDAC8
SCHEMBL210811 0.81 HDAC1 (0.66) HDAC1HDAC2HDAC3HDAC11HDAC8
SCHEMBL212577 0.81 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC11HDAC8
Mocetinostat SCHEMBL29454790 0.78 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC11HDAC8
Mocetinostat SCHEMBL29534132 0.78 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC11HDAC8
Mocetinostat SCHEMBL157027 0.78 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC11HDAC8
Mocetinostat SCHEMBL29379811 0.78 HDAC1 (0.98) HDAC1HDAC2HDAC3HDAC11HDAC8
SCHEMBL5227360 0.78 HDAC1 (0.71) HDAC1HDAC2HDAC3HDAC11HDAC8
SCHEMBL4086310 0.77 HDAC1 (0.84) HDAC1HDAC2HDAC3HDAC11HDAC8

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 HDAC1 1/4885HDAC2 8/4885HDAC3 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.