SCHEMBL10254656

SCHEMBL10254656

CC(C)(C)OC(=O)N1CCC(C)(C(=O)Nc2cc(OC3CCc4cc(C(N)=O)ccc4C3)ccn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 4/20 0.41
GPR119 Q8TDV5 3/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
JAK2 O60674 10/20 0.37
JAK1 P23458 10/20 0.37
HRH3 Q9Y5N1 1/20 0.37
WNT3A P56704 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
SCHEMBL354136 0.93 PKM (0.37) CHEK2GPR119NPC1RAB9AJAK2
SCHEMBL355334 0.92 HDAC1 (0.41) NPC1RAB9AHRH3WNT3A
SCHEMBL15981203 0.87 SYK (0.38) NPC1RAB9A
SCHEMBL353867 0.82 HDAC8 (0.39)
SCHEMBL355578 0.80 NPC1 (0.49) NPC1RAB9AWNT3A
SCHEMBL353174 0.80 SYK (0.42) HRH3
SCHEMBL353421 0.79 FGFR1 (0.40)
SCHEMBL356031 0.79 HRH3 (0.39) HRH3
SCHEMBL353143 0.79 HDAC8 (0.39) HRH3
SCHEMBL355960 0.79 FGFR1 (0.39)

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
WO-2012012322-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO 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-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 CHEK2 3205/4885GPR119 926/4885NPC1 2958/4885

“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.