SCHEMBL10120396

SCHEMBL10120396

CC(C)(C)OC(=O)N1CCC(C)(C(=O)Nc2ccc(CN3CCc4cc(C(=O)NO)ccc4C3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.49
HDAC1 Q13547 5/20 0.49
HDAC8 Q9BY41 2/20 0.49
NOD1 Q9Y239 10/20 0.45
TNF P01375 9/20 0.45
NOD2 Q9HC29 9/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
PLAU P00749 1/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL9950511 0.91 ACACB (0.52) NOD1TNFNOD2MEN1KMT2A
SCHEMBL9960462 0.88 SMN1; SMN2 (0.50) HDAC6HDAC1HDAC8NOD1TNF
SCHEMBL10104762 0.84 NOD1 (0.50) HDAC6HDAC1NOD1TNFNOD2
SCHEMBL9949384 0.82 NAMPT (0.52) HDAC6HDAC1HDAC8
SCHEMBL10104792 0.82 ACACB (0.47) NOD1TNFNOD2MEN1KMT2A
SCHEMBL9949404 0.81 HDAC6 (0.58) HDAC6HDAC1HDAC8LMNA
SCHEMBL12896044 0.74 SMN1; SMN2 (0.62) HDAC6HDAC1HDAC8NOD1MEN1
SCHEMBL12895811 0.74 HDAC1 (0.76) HDAC6HDAC1HDAC8NOD1TNF
SCHEMBL354456 0.74 HDAC8 (0.46) HDAC6HDAC1HDAC8
SCHEMBL345519 0.73 NPC1 (0.58) NOD1NOD2MEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778931-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-15 US claimed
US-8778931-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-15 US disclosed
US-20120165316-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-28 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 (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-20120165316-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 HDAC6 1/4885HDAC1 3/4885HDAC8 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.