SCHEMBL356362

SCHEMBL356362

COC(=O)c1ccc2c(c1)CCC(O)C2.O=C(NO)c1ccc2c(c1)CCC(OCc1ccc(Cl)cc1)C2

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 10/20 0.44
HDAC6 Q9UBN7 5/20 0.44
HDAC1 Q13547 3/20 0.44
SMPD1 P17405 2/20 0.42
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MCHR1 Q99705 2/20 0.37
HTR2C P28335 1/20 0.37
KCNH2 Q12809 1/20 0.37
PRMT5 O14744 1/20 0.36

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
SCHEMBL10249763 0.90 HDAC8 (0.50) HDAC8HDAC6HDAC1SMPD1
SCHEMBL356187 0.86 HDAC8 (0.55) HDAC8HDAC6HDAC1SMPD1
SCHEMBL354763 0.86 NPC1 (0.44) HDAC8NPC1RAB9A
SCHEMBL10247110 0.78 HDAC8 (0.48) HDAC8HDAC6HDAC1
SCHEMBL353154 0.77 CHRNB2 (0.44) NPC1RAB9A
SCHEMBL10247051 0.76 HDAC8 (0.48) HDAC8HDAC6HDAC1SMPD1MCHR1
SCHEMBL10247303 0.74 HDAC8 (0.53) HDAC8HDAC6NPC1RAB9A
SCHEMBL10247197 0.74 HDAC8 (0.53) HDAC8HDAC6HDAC1
SCHEMBL10249808 0.72 HDAC8 (0.53) HDAC8HDAC6HDAC1SMPD1
SCHEMBL355731 0.72 CHRNB2 (0.44) HDAC8HDAC6NPC1RAB9A

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 2 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-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 HDAC8 13/4885HDAC6 1/4885HDAC1 2/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 HDAC8 20/4885HDAC6 1/4885HDAC1 2/4885

“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.