SCHEMBL1608468

SCHEMBL1608468

COC(=O)c1ccc2ccn(CCOc3ccccc3CN3CCOCC3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.45
KDM4E B2RXH2 7/20 0.43
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 2/20 0.43
POLB P06746 2/20 0.43
APOBEC3A P31941 1/20 0.43
HSD17B10 Q99714 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
LMNA P02545 3/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
DRD1 P21728 1/20 0.41
DRD4 P21917 1/20 0.41
DRD5 P21918 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL17676750 0.91 KDM4E (0.48) PTPN1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL7993802 0.91 KDM4E (0.48) PTPN1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL1607834 0.89 HDAC1 (0.44) KDM4EALDH1A1SMN1; SMN2POLBCYP2C19
SCHEMBL1608546 0.84 L3MBTL1 (0.52) KDM4EALDH1A1SMN1; SMN2HPGDPOLB
SCHEMBL1608691 0.83 ROCK2 (0.46) KDM4EALDH1A1SMN1; SMN2HPGDPOLB
SCHEMBL30444463 0.82 ALDH1A1 (0.55) KDM4EALDH1A1SMN1; SMN2HPGDPOLB
SCHEMBL1608510 0.79 SMN1; SMN2 (0.51) PTPN1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL1608209 0.79 MAPT (0.56) PTPN1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL1607755 0.78 ALDH1A1 (0.50) PTPN1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL1608799 0.76 MAPT (0.56) PTPN1KDM4EALDH1A1SMN1; SMN2HPGD

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 17 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

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 PTPN1 3726/4885KDM4E 281/4885ALDH1A1 2428/4885
US-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE HDAC8, HDAC1, HDAC5 PTPN1 4095/4885KDM4E 181/4885ALDH1A1 1970/4885
US-20140004174-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 PTPN1 3726/4885KDM4E 281/4885ALDH1A1 2428/4885

“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.