SCHEMBL1491597

SCHEMBL1491597

O=C(CCCCCCC(=O)Nc1cccc(OCCCC(=O)N[C@H](C(=O)O)c2ccccc2)c1)NO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.54
HDAC6 Q9UBN7 10/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HTT P42858 1/20 0.54
HDAC2 Q92769 10/20 0.53
HDAC8 Q9BY41 9/20 0.52
HDAC3 O15379 6/20 0.52
HDAC11 Q96DB2 5/20 0.52
HDAC4 P56524 4/20 0.52
HDAC7 Q8WUI4 4/20 0.52
HDAC9 Q9UKV0 4/20 0.52
HDAC5 Q9UQL6 4/20 0.52
HDAC10 Q969S8 4/20 0.52
NCOR2 Q9Y618 4/20 0.52
CYP3A4 P08684 2/20 0.52
KDM4E B2RXH2 1/20 0.52
BRD4 O60885 1/20 0.52
NCOR1 O75376 1/20 0.52
NR1I2 O75469 1/20 0.52
EGFR P00533 1/20 0.52

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
SCHEMBL1491600 1.00 HDAC1 (0.54) HDAC1HDAC6SMN1; SMN2HTTHDAC2
SCHEMBL12672876 0.92 CYP3A4 (0.54) HDAC1HDAC6SMN1; SMN2HTTHDAC2
SCHEMBL12536049 0.89 HDAC1 (0.53) HDAC1HDAC6SMN1; SMN2HTTHDAC2
SCHEMBL1491528 0.87 SMN1; SMN2 (0.47) HDAC1HDAC6SMN1; SMN2HTTHDAC2
SCHEMBL1491530 0.87 SMN1; SMN2 (0.47) HDAC1HDAC6SMN1; SMN2HTTHDAC2
SCHEMBL12672967 0.82 HDAC1 (0.50) HDAC1HDAC6SMN1; SMN2HTTHDAC2
SCHEMBL1491378 0.81 HDAC6 (0.58) HDAC1HDAC6HDAC2HDAC8HDAC3
SCHEMBL1491381 0.81 HDAC6 (0.58) HDAC1HDAC6HDAC2HDAC8HDAC3
SCHEMBL15786566 0.81 HDAC6 (0.65) HDAC1HDAC6
SCHEMBL192409 0.80 HDAC1 (0.54) HDAC1HDAC6SMN1; SMN2HTTHDAC2

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-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
EP-1879895-B1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2011-06-08 EP disclosed
EP-1879895-B1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2011-06-08 EP 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
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 11/4885SMN1; SMN2 3591/4885
US-20140163042-A1 ENZYME INHIBITORS HAT1, NR2E1, HDAC3 HDAC1 5/4885HDAC6 557/4885SMN1; SMN2 3264/4885
US-20090291978-A1 Enzyme Inhibitors HAT1, NR2E1, NR2C2 HDAC1 9/4885HDAC6 1058/4885SMN1; SMN2 3848/4885

“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.