SCHEMBL7369673

SCHEMBL7369673

COC(=O)CCCCCCNC(=O)c1cc2ccccc2[nH]1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.72
HDAC2 Q92769 7/20 0.72
HDAC3 O15379 6/20 0.72
HDAC4 P56524 5/20 0.72
HDAC7 Q8WUI4 5/20 0.72
HDAC10 Q969S8 5/20 0.72
HDAC11 Q96DB2 5/20 0.72
HDAC8 Q9BY41 5/20 0.72
HDAC6 Q9UBN7 5/20 0.72
HDAC9 Q9UKV0 5/20 0.72
HDAC5 Q9UQL6 5/20 0.72
AKR1C3 P42330 1/20 0.71
DRD2 P14416 2/20 0.69
DRD3 P35462 2/20 0.69
KDM4E B2RXH2 2/20 0.67
ALDH1A1 P00352 1/20 0.67
HSD17B10 Q99714 1/20 0.65
HTR2C P28335 1/20 0.60
ACKR3 P25106 1/20 0.57
DRD4 P21917 1/20 0.56

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
SCHEMBL7374142 1.00 HDAC1 (0.72) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL27550290 0.87 AKR1C3 (0.86) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7369162 0.86 HDAC1 (0.77) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7370548 0.86 HDAC1 (0.77) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7374708 0.85 HDAC1 (0.76) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7369960 0.85 HDAC1 (0.76) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL19837643 0.85 DRD2 (0.90) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL19837655 0.85 DRD2 (0.90) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL6473590 0.85 AKR1C3 (0.78) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL6481222 0.85 AKR1C3 (0.78) HDAC1HDAC2HDAC3HDAC4HDAC7

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133104-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2015-09-15 US disclosed
US-20140163042-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-12 US disclosed
US-20130116318-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2013-05-09 US disclosed
US-20020177594-A1 Inhibitors of histone deacetylase ABBOTT LABORATORIES 2002-11-28 US disclosed
US-20020103192-A1 Inhibitors of histone deacetylase ABBOTT LABORATORIES 2002-08-01 US disclosed
WO-2002046129-A2 INHIBITORS OF HISTONE DEACETYLASE ABBOTT LABORATORIES (US) 2002-06-13 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 (4 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-20020103192-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC4 HDAC1 1/4885HDAC2 7/4885HDAC3 6/4885
US-20130116318-A1 Enzyme Inhibitors HDAC1, HDAC11, HDAC7 HDAC1 1/4885HDAC2 4/4885HDAC3 7/4885
US-20020177594-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC3 HDAC1 1/4885HDAC2 4/4885HDAC3 3/4885
US-20140163042-A1 ENZYME INHIBITORS HAT1, NR2E1, HDAC3 HDAC1 5/4885HDAC2 31/4885HDAC3 3/4885

“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.