SCHEMBL9895336

SCHEMBL9895336

CC1CCC(OC(=O)C(C)(C)NCc2ccc(C=CC(=O)NO)nc2)C1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.37
HDAC3 O15379 17/20 0.37
HDAC1 Q13547 17/20 0.37
HDAC6 Q9UBN7 16/20 0.37
HDAC8 Q9BY41 16/20 0.37
HDAC4 P56524 16/20 0.37
HDAC2 Q92769 12/20 0.37
HDAC5 Q9UQL6 11/20 0.37
HDAC10 Q969S8 10/20 0.37
HDAC7 Q8WUI4 9/20 0.37
HDAC11 Q96DB2 9/20 0.37
HDAC9 Q9UKV0 9/20 0.37
KDM1A O60341 1/20 0.33
MEF2D Q14814 1/20 0.33

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
SCHEMBL7898598 1.00 CYP19A1 (0.37) CYP19A1HDAC3HDAC1HDAC6HDAC8
Trifluoroacetic Acid SCHEMBL9895577 0.95 HDAC1 (0.35) CYP19A1HDAC3HDAC1HDAC6HDAC8
SCHEMBL9895036 0.84 CYP19A1 (0.32) CYP19A1
SCHEMBL7899904 0.84 CYP19A1 (0.32) CYP19A1
SCHEMBL181721 0.84 HDAC8 (0.38) CYP19A1HDAC3HDAC1HDAC6HDAC8
SCHEMBL7899161 0.80 HDAC3 (0.42) HDAC3HDAC1HDAC6HDAC8HDAC4
SCHEMBL9896126 0.75 HDAC3 (0.55) HDAC3HDAC1HDAC6HDAC8HDAC4
SCHEMBL7899146 0.75 HDAC3 (0.55) HDAC3HDAC1HDAC6HDAC8HDAC4
Trifluoroacetic Acid SCHEMBL9895594 0.70 HDAC3 (0.49) HDAC3HDAC1HDAC6HDAC8HDAC4
SCHEMBL9894988 0.70 HDAC3 (0.41) HDAC3HDAC1HDAC6HDAC8HDAC4

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-20140155439-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-05 US claimed
US-20130303576-A1 ENZYME INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-11-14 US claimed
US-20120149736-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2012-06-14 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20130303576-A1 ENZYME INHIBITORS HDAC1, HDAC4, HDAC3 CYP19A1 387/4885HDAC3 3/4885HDAC1 1/4885
US-20140155439-A1 ENZYME INHIBITORS HDAC4, HDAC1, HDAC3 CYP19A1 577/4885HDAC3 3/4885HDAC1 2/4885
US-20120149736-A1 ENZYME INHIBITORS HAT1, HDAC1, NAT1 CYP19A1 534/4885HDAC3 5/4885HDAC1 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.