SCHEMBL10247239

SCHEMBL10247239

CCN1CCC(C)(C(=O)Nc2ccc(C3CCc4cc(C(=O)NO)ccc4C3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 9/20 0.40
HDAC8 Q9BY41 7/20 0.40
HDAC3 O15379 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC1 Q13547 1/20 0.37
MCHR1 Q99705 1/20 0.37
NAMPT P43490 1/20 0.37
SSTR5 P35346 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
SCHEMBL10247234 0.86 HDAC8 (0.40) HDAC6HDAC8HDAC1
SCHEMBL354799 0.79 NPC1 (0.38) HDAC6HDAC8
SCHEMBL436430 0.78 GHSR (0.42) MCHR1SSTR5
SCHEMBL355886 0.77 HDAC8 (0.42) HDAC6HDAC8
SCHEMBL355960 0.76 FGFR1 (0.39) HDAC6HDAC8HDAC1
SCHEMBL10247172 0.75 HDAC6 (0.47) HDAC6HDAC8HDAC3HDAC1MCHR1
SCHEMBL10247072 0.74 HDAC8 (0.48) HDAC6HDAC8HDAC3HDAC11HDAC1
SCHEMBL10104761 0.74 HDAC6 (0.57) HDAC6HDAC8HDAC3HDAC1
SCHEMBL353250 0.74 HDAC8 (0.40) HDAC6HDAC8
SCHEMBL10246916 0.72 HDAC8 (0.56) HDAC6HDAC8HDAC3HDAC11HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
WO-2012012322-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 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-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 HDAC6 1/4885HDAC8 13/4885HDAC3 4/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 HDAC6 1/4885HDAC8 20/4885HDAC3 10/4885

“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.