SCHEMBL17356907

SCHEMBL17356907

CC1=C(C(=O)NO)CCN(C)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 15/20 0.35
HDAC1 Q13547 10/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC8 Q9BY41 4/20 0.34
HDAC2 Q92769 3/20 0.34
HDAC3 O15379 2/20 0.34
HDAC10 Q969S8 2/20 0.34
NCOR2 Q9Y618 2/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
ADORA1 P30542 1/20 0.34
LMNA P02545 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32

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
SCHEMBL17356895 0.85 HDAC6 (0.38) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL9568939 0.71 CHRNB2 (0.37) MEN1ALDH1A1KMT2AADORA1
SCHEMBL17356908 0.70 HDAC6 (0.41) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL17621736 0.69 CHRNB2 (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10841771 0.67 ALDH1A1 (0.40) MEN1ALDH1A1KMT2AADORA1CHRM2
SCHEMBL8322143 0.65
Oxalic Acid SCHEMBL9404378 0.63 CHRM5 (0.46) ALDH1A1LMNACHRM2CHRM4CHRM5
SCHEMBL21514732 0.63
SCHEMBL19099706 0.63 HDAC6 (0.48) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL15824729 0.63 CHRM2 (0.64) HDAC6HDAC1HDAC8HDAC2HDAC3

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-20180215726-A1 CYCLOALKENYL HYDROXAMIC ACID DERIVATIVES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS THE BROAD INSTITUTE, INC. (US) 2018-08-02 US disclosed
US-9914717-B2 Cycloalkenyl hydroxamic acid derivatives and their use as histone deacetylase inhibitors THE BROAD INSTITUTE, INC. (US) 2018-03-13 US disclosed
US-20150368221-A1 CYCLOALKENYL HYDROXAMIC ACID DERIVATIVES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS THE BROAD INSTITUTE, INC. 2015-12-24 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-20180215726-A1 CYCLOALKENYL HYDROXAMIC ACID DERIVATIVES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC7 HDAC6 9/4885HDAC1 1/4885MEN1 4238/4885
US-20150368221-A1 CYCLOALKENYL HYDROXAMIC ACID DERIVATIVES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC7 HDAC6 10/4885HDAC1 1/4885MEN1 4260/4885

“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.