SCHEMBL355578

SCHEMBL355578

CC(C)(C)OC(=O)N1CCC(C(=O)Nc2cc(OC3CCc4cc(C(=O)NO)ccc4C3)ccn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
HDAC1 Q13547 1/20 0.44
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
ABL1 P00519 1/20 0.43
RIN1 Q13671 1/20 0.43
KMT2A Q03164 1/20 0.42
HDAC6 Q9UBN7 5/20 0.40
HDAC8 Q9BY41 2/20 0.40
STS P08842 6/20 0.39
RAF1 P04049 2/20 0.39
BRAF P15056 2/20 0.39
ENPP2 Q13822 1/20 0.38
WNT3A P56704 1/20 0.38

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
SCHEMBL355334 0.89 HDAC1 (0.41) NPC1RAB9AHDAC1ABL1HDAC6
SCHEMBL355744 0.85 USP30 (0.48) HDAC1KMT2AHDAC6RAF1
SCHEMBL10247368 0.85 HDAC8 (0.44) ABL1HDAC6HDAC8RAF1BRAF
SCHEMBL356596 0.84 HDAC8 (0.45) HDAC6HDAC8BRAF
SCHEMBL10246971 0.81 HDAC8 (0.49) HDAC6HDAC8
SCHEMBL354136 0.80 PKM (0.37) NPC1RAB9AHDAC1STSBRAF
SCHEMBL10254656 0.80 CHEK2 (0.41) NPC1RAB9AWNT3A
SCHEMBL353867 0.79 HDAC8 (0.39) HDAC6HDAC8
SCHEMBL354020 0.77 USP30 (0.48) NPC1RAB9AKMT2ARAF1
SCHEMBL10247112 0.77 HDAC8 (0.42) HDAC6HDAC8

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-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
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 NPC1 2866/4885RAB9A 1801/4885HDAC1 2/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 NPC1 2958/4885RAB9A 1003/4885HDAC1 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.