SCHEMBL1491336

SCHEMBL1491336

O=C(CCCCCCC(=O)Nc1cccc(CN[C@H](C(=O)OC2CCCC2)c2ccccc2)c1)NO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.47
HDAC6 Q9UBN7 12/20 0.47
HDAC8 Q9BY41 11/20 0.47
HDAC3 O15379 10/20 0.47
HDAC2 Q92769 9/20 0.47
HDAC10 Q969S8 9/20 0.47
HDAC11 Q96DB2 7/20 0.47
HDAC5 Q9UQL6 6/20 0.47
HDAC4 P56524 5/20 0.47
HDAC7 Q8WUI4 5/20 0.47
HDAC9 Q9UKV0 5/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NCOR2 Q9Y618 3/20 0.46
LTA4H P09960 2/20 0.46
KDM4E B2RXH2 1/20 0.46
BRD4 O60885 1/20 0.46
NCOR1 O75376 1/20 0.46
NR1I2 O75469 1/20 0.46
EGFR P00533 1/20 0.46

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
SCHEMBL1491339 1.00 HDAC1 (0.47) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL1491470 0.91 HDAC1 (0.46) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL1491387 0.91 HDAC1 (0.46) HDAC1HDAC6HDAC8HDAC3HDAC2
Tefinostat SCHEMBL1491466 0.90 HDAC1 (0.48) HDAC1HDAC6HDAC8HDAC3HDAC2
Tefinostat SCHEMBL1491467 0.90 HDAC1 (0.48) HDAC1HDAC6HDAC8HDAC3HDAC2
Tefinostat SCHEMBL1491564 0.90 HDAC1 (0.48) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL1491592 0.90 HDAC1 (0.46) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL1491590 0.90 HDAC1 (0.46) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL1491504 0.88 HDAC1 (0.50) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL1491500 0.88 HDAC1 (0.50) HDAC1HDAC6HDAC8HDAC3HDAC2

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879895-B1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2011-06-08 EP claimed
US-7939666-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-05-10 US claimed
US-20090291978-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-11-26 US claimed
US-20210361772-A1 ENZYME AND RECEPTOR MODULATION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-11-25 US disclosed
US-20210361772-A1 ENZYME AND RECEPTOR MODULATION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-11-25 US disclosed
EP-3530290-A1 ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-08-28 EP disclosed
US-20190231887-A1 ENZYME AND RECEPTOR MODULATION CHROMA THERAPEUTICS LTD. (GB) 2019-08-01 US disclosed
US-20190231887-A1 ENZYME AND RECEPTOR MODULATION CHROMA THERAPEUTICS LTD. (GB) 2019-08-01 US disclosed
US-20180000952-A1 ENZYME AND RECEPTOR MODULATION CHROMA THERAPEUTICS LIMITED (GB) 2018-01-04 US disclosed
EP-1964577-B1 ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE GLAXOSMITHKLINE IP DEV LTD (GB) 2016-04-13 EP disclosed
EP-1964577-B1 ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE GLAXOSMITHKLINE IP DEV LTD (GB) 2016-04-13 EP disclosed
EP-1964578-A2 Alpha aminoacid ester-drug conjugates hydrolysable by carboxylesterase Chroma Therapeutics Limited (GB) 2008-09-03 EP disclosed
EP-1964577-A2 Alpha aminoacid ester-drug conjugates hydrolysable by carboxylesterase Chroma Therapeutics Limited (GB) 2008-09-03 EP disclosed
EP-1964578-A2 Alpha aminoacid ester-drug conjugates hydrolysable by carboxylesterase Chroma Therapeutics Limited (GB) 2008-09-03 EP disclosed
EP-1964577-A2 Alpha aminoacid ester-drug conjugates hydrolysable by carboxylesterase Chroma Therapeutics Limited (GB) 2008-09-03 EP disclosed
EP-1879895-A1 ENZYME INHIBITORS Chroma Therapeutics Limited (GB) 2008-01-23 EP disclosed
EP-1877098-A2 ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE Chroma Therapeutics Limited (GB) 2008-01-16 EP disclosed
WO-2006117567-A2 ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE CHROMA THERAPEUTICS LTD (GB) 2006-11-09 WO disclosed
WO-2006117567-A2 ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE 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 (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-20180000952-A1 ENZYME AND RECEPTOR MODULATION CES1, HCAR1, DNPEP HDAC1 2532/4885HDAC6 2482/4885HDAC8 1758/4885
US-20210361772-A1 ENZYME AND RECEPTOR MODULATION CES1, HCAR1, DNPEP HDAC1 2532/4885HDAC6 2482/4885HDAC8 1758/4885
US-20190231887-A1 ENZYME AND RECEPTOR MODULATION CES1, HCAR1, DNPEP HDAC1 2532/4885HDAC6 2482/4885HDAC8 1758/4885
US-20090291978-A1 Enzyme Inhibitors HAT1, NR2E1, NR2C2 HDAC1 9/4885HDAC6 1058/4885HDAC8 39/4885

“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.