SCHEMBL355334

SCHEMBL355334

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.41
HDAC6 Q9UBN7 7/20 0.39
HDAC8 Q9BY41 6/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
WNT3A P56704 1/20 0.36
NTRK1 P04629 1/20 0.35
ABL1 P00519 1/20 0.34
PDGFRB P09619 1/20 0.34
KIT P10721 1/20 0.34
NAMPT P43490 2/20 0.34
MMP13 P45452 1/20 0.34
ADAM17 P78536 1/20 0.34

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
SCHEMBL354136 0.92 PKM (0.37) HDAC1NPC1RAB9AHRH3WNT3A
SCHEMBL10254656 0.92 CHEK2 (0.41) NPC1RAB9AHRH3WNT3A
SCHEMBL353867 0.91 HDAC8 (0.39) HDAC6HDAC8
SCHEMBL355578 0.89 NPC1 (0.49) HDAC1HDAC6HDAC8NPC1RAB9A
SCHEMBL353143 0.87 HDAC8 (0.39) HDAC6HDAC8HRH3
SCHEMBL355960 0.87 FGFR1 (0.39) HDAC1HDAC6HDAC8
SCHEMBL10247112 0.87 HDAC8 (0.42) HDAC6HDAC8
SCHEMBL354479 0.85 HDAC8 (0.41) HDAC6HDAC8
SCHEMBL353604 0.82 HDAC8 (0.44) HDAC6HDAC8
SCHEMBL356596 0.81 HDAC8 (0.45) 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
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 HDAC1 2/4885HDAC6 1/4885HDAC8 13/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 HDAC1 2/4885HDAC6 1/4885HDAC8 20/4885

“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.