SCHEMBL1607755

SCHEMBL1607755

COC(=O)c1ccc2ccn(CCOc3ccccc3C=O)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
HPGD P15428 3/20 0.50
KDM4E B2RXH2 2/20 0.50
POLB P06746 2/20 0.50
APOBEC3A P31941 1/20 0.50
HSD17B10 Q99714 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
PTPN1 P18031 1/20 0.49
LMNA P02545 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
HTT P42858 2/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 3/20 0.42
MCL1 Q07820 2/20 0.42

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
SCHEMBL1608209 0.86 MAPT (0.56) ALDH1A1SMN1; SMN2HPGDKDM4EPOLB
SCHEMBL1608510 0.86 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2HPGDKDM4EPOLB
SCHEMBL1608799 0.83 MAPT (0.56) ALDH1A1SMN1; SMN2HPGDKDM4EPOLB
SCHEMBL1608367 0.82 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HPGDKDM4EPOLB
SCHEMBL1608618 0.81 KDM4E (0.51) ALDH1A1SMN1; SMN2HPGDKDM4EPOLB
SCHEMBL31335103 0.81 KDM4E (0.51) ALDH1A1SMN1; SMN2HPGDKDM4EPOLB
SCHEMBL1809364 0.80 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2HPGDKDM4EPOLB
SCHEMBL17676750 0.79 KDM4E (0.48) ALDH1A1SMN1; SMN2HPGDKDM4EPOLB
SCHEMBL7993802 0.79 KDM4E (0.48) ALDH1A1SMN1; SMN2HPGDKDM4EPOLB
SCHEMBL1608468 0.78 PTPN1 (0.45) ALDH1A1SMN1; SMN2HPGDKDM4EPOLB

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
EP-2265590-B1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS LLC (US) 2016-04-13 EP disclosed
EP-2265590-B1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS LLC (US) 2016-04-13 EP disclosed
US-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE PHARMACYCLICS LLC 2015-11-12 US disclosed
US-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE PHARMACYCLICS LLC 2015-11-12 US disclosed
US-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE PHARMACYCLICS LLC 2015-11-12 US disclosed
US-8906954-B2 Selective inhibitors of histone deacetylase PHARMACYCLICS, INC. (US) 2014-12-09 US disclosed
US-8906954-B2 Selective inhibitors of histone deacetylase PHARMACYCLICS, INC. (US) 2014-12-09 US disclosed
US-8906954-B2 Selective inhibitors of histone deacetylase PHARMACYCLICS, INC. (US) 2014-12-09 US disclosed
US-20140004174-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2014-01-02 US disclosed
US-8466193-B2 Selective inhibitors of histone deacetylase PHARMACYCLICS, INC. (US) 2013-06-18 US disclosed
US-8466193-B2 Selective inhibitors of histone deacetylase PHARMACYCLICS, INC. (US) 2013-06-18 US disclosed
US-8466193-B2 Selective inhibitors of histone deacetylase PHARMACYCLICS, INC. (US) 2013-06-18 US disclosed
US-20110081409-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS LLC 2011-04-07 US disclosed
US-20110081409-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS LLC 2011-04-07 US disclosed
US-20110081409-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS LLC 2011-04-07 US disclosed
EP-2265590-A2 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2010-12-29 EP disclosed
WO-2009129335-A2 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2009-10-22 WO disclosed
WO-2009129335-A2 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2009-10-22 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-20110081409-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 ALDH1A1 2428/4885SMN1; SMN2 1689/4885HPGD 1860/4885
US-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE HDAC8, HDAC1, HDAC5 ALDH1A1 1970/4885SMN1; SMN2 1847/4885HPGD 1537/4885
US-20140004174-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 ALDH1A1 2428/4885SMN1; SMN2 1689/4885HPGD 1860/4885

“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.