SCHEMBL14989502

SCHEMBL14989502

CN1CCN(Cc2ncc(-c3ccc(C(=O)CC(N)Oc4ccc(C(=O)NO)cc4)cc3)s2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.44
KIT P10721 1/20 0.42
FLT3 P36888 1/20 0.42
HDAC1 Q13547 5/20 0.40
HDAC2 Q92769 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC3 O15379 2/20 0.38
ABL1 P00519 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
TBK1 Q9UHD2 4/20 0.37
IKBKE Q14164 3/20 0.37
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
TNIK Q9UKE5 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
SCHEMBL444535 0.82 HDAC6 (0.51) HDAC6KITFLT3HDAC1HDAC2
SCHEMBL4254200 0.76 HDAC6 (0.43) HDAC6KITFLT3HDAC1HDAC2
SCHEMBL443202 0.67 HDAC6 (0.47) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL442957 0.66 KIT (0.39) KITFLT3MKNK1
SCHEMBL16914806 0.62 ALDH1A1 (0.61)
SCHEMBL4255461 0.61 NPC1 (0.42) HDAC6HDAC1HDAC2HDAC8
SCHEMBL404269 0.61 HDAC6 (0.45) HDAC6KITFLT3HDAC2HDAC8
SCHEMBL14880133 0.59 ALOX15 (0.68) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL1109561 0.58 HDAC6 (0.62) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL1109521 0.58 HDAC6 (0.62) HDAC6KITFLT3HDAC1HDAC2

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-8779171-B2 Hydroxamates as therapeutic agents PHARMACYCLICS, INC. (US) 2014-07-15 US disclosed
US-20130142758-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS PHARMACYCLICS, INC. (US) 2013-06-06 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-20130142758-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 HDAC6 8/4885KIT 4582/4885FLT3 3746/4885

“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.