SCHEMBL11988196

SCHEMBL11988196

CCN(CC)CCNc1nccc(C(C)(C)C)n1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CCR4 P51679 3/20 0.49
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ DNM2 P50570 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ SYK P43405 1/20 0.40
▸ MKNK1 Q9BUB5 2/20 0.38
▸ MKNK2 Q9HBH9 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ KCNH2 Q12809 1/20 0.37
▸ FGFR1 P11362 1/20 0.37
▸ PLK1 P53350 1/20 0.37

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
SCHEMBL11988195 0.90 CCR4 (0.52) CCR4DNM2SYKFGFR1
SCHEMBL11988212 0.87 DNM2 (0.48) CCR4DNM2SYKMKNK1PKM
SCHEMBL15181300 0.83 SYK (0.44) CA1CA2CA9DNM2KDM4E
SCHEMBL11988199 0.80 HRH4 (0.52) CA1CA2CA9DNM2SYK
SCHEMBL24650717 0.76 MKNK1 (0.48) KDM4EHSD17B10SYKMKNK1MKNK2
SCHEMBL16844971 0.74 HRH4 (0.52) SYK
SCHEMBL11988630 0.73 EIF2AK2 (0.48) KDM4ELMNAHTTHSD17B10SYK
SCHEMBL11988210 0.73 SYK (0.43) DNM2KDM4EHTTSYKMKNK1
SCHEMBL30369342 0.72 CCR4 (0.46) CCR4CA1CA2CA9DNM2
SCHEMBL10224751 0.72 PLK1 (0.46) CA9KDM4EHSD17B10SYKPKM

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-8247562-B2 Benzamide derivatives useful as histone deacetylase inhibitors ASTRAZENECA AB (SE) 2012-08-21 — — US disclosed
US-8247562-B2 Benzamide derivatives useful as histone deacetylase inhibitors ASTRAZENECA AB (SE) 2012-08-21 — — US disclosed
US-20100331329-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS ASTRAZENECA AB (SE) 2010-12-30 — — US disclosed
US-20100331329-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS ASTRAZENECA AB (SE) 2010-12-30 — — US disclosed
US-20090029991-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS ASTRAZENECA AB (SE) 2009-01-29 — — US disclosed
US-20090029991-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS ASTRAZENECA AB (SE) 2009-01-29 — — 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-20090029991-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC2 CCR4 1911/4885CA1 1511/4885CA2 569/4885
US-20100331329-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC4 CCR4 1962/4885CA1 2249/4885CA2 672/4885

“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.

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