SCHEMBL1491562

SCHEMBL1491562

O=C(CCCCCCC(=O)N1CCc2c([nH]c3ccccc23)C1CN[C@H](C(=O)O)c1ccccc1)NO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 3/20 0.54
▸ HDAC6 Q9UBN7 3/20 0.54
▸ KDM4E B2RXH2 2/20 0.50
▸ ABCB1 P08183 2/20 0.47
▸ ABCG2 Q9UNQ0 2/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ LMNA P02545 6/20 0.42
▸ TP53 P04637 2/20 0.42
▸ RAB9A P51151 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ KIF11 P52732 1/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ PDE5A O76074 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41

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
SCHEMBL1877789 1.00 HDAC1 (0.54) HDAC1HDAC6KDM4EABCB1ABCG2
SCHEMBL1491499 0.89 HDAC1 (0.48) HDAC1HDAC6KDM4EABCB1ABCG2
SCHEMBL1491496 0.89 HDAC1 (0.48) HDAC1HDAC6KDM4EABCB1ABCG2
SCHEMBL12831416 0.86 HDAC1 (0.58) HDAC1HDAC6KDM4EABCB1ABCG2
SCHEMBL1491428 0.85 HDAC1 (0.54) HDAC1HDAC6KDM4EABCB1ABCG2
SCHEMBL1491430 0.85 HDAC1 (0.54) HDAC1HDAC6KDM4EABCB1ABCG2
SCHEMBL12831402 0.79 HDAC1 (0.61) HDAC1HDAC6KDM4EABCB1ABCG2
SCHEMBL14930036 0.79 HDAC1 (0.51) HDAC1HDAC6KDM4EABCB1ABCG2
SCHEMBL8252712 0.78 HDAC1 (0.51) HDAC1HDAC6KDM4EABCB1ABCG2
SCHEMBL1491400 0.77 HDAC1 (0.48) HDAC1HDAC6KDM4EABCB1ABCG2

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 18 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-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-20140163042-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-12 — — 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-20130116318-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2013-05-09 — — US disclosed
US-20130116318-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2013-05-09 — — US disclosed
US-7939666-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-05-10 — — US disclosed
US-7939666-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-05-10 — — US disclosed
US-7939666-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-05-10 — — US disclosed
EP-2301939-A1 Enzyme inhibitors Chroma Therapeutics Limited (GB) 2011-03-30 — — EP disclosed
US-20090291978-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-11-26 — — US disclosed
US-20090291978-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-11-26 — — US disclosed
US-20090291978-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-11-26 — — US disclosed
EP-1879895-A1 ENZYME INHIBITORS Chroma Therapeutics Limited (GB) 2008-01-23 — — EP disclosed
WO-2006117549-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2006-11-09 — — WO disclosed
WO-2006117549-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2006-11-09 — — 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 (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-20130116318-A1 Enzyme Inhibitors HDAC1, HDAC11, HDAC7 HDAC1 1/4885HDAC6 11/4885KDM4E 260/4885
US-20140163042-A1 ENZYME INHIBITORS HAT1, NR2E1, HDAC3 HDAC1 5/4885HDAC6 557/4885KDM4E 393/4885
US-20090291978-A1 Enzyme Inhibitors HAT1, NR2E1, NR2C2 HDAC1 9/4885HDAC6 1058/4885KDM4E 872/4885

“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.

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