SCHEMBL315339

SCHEMBL315339

O=C(O)CCN1Cc2ccccc2C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 1.00
ALOX15 P16050 1/20 1.00
TSHR P16473 1/20 1.00
SIRT1 Q96EB6 1/20 1.00
HTR1A P08908 1/20 0.53
DRD2 P14416 1/20 0.53
DRD5 P21918 1/20 0.53
DRD3 P35462 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 3/20 0.52
HPGD P15428 2/20 0.52
HTR7 P34969 1/20 0.52
HDAC3 O15379 1/20 0.52
HDAC4 P56524 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
SCHEMBL31188916 1.00 KDM4E (1.00) KDM4EALOX15TSHRSIRT1HTR1A
SCHEMBL7433345 0.91 KDM4E (0.83) KDM4EALOX15TSHRSIRT1HTR1A
SCHEMBL3383921 0.88 KDM4E (0.78) KDM4EALOX15TSHRSIRT1HTR1A
SCHEMBL13593314 0.88 KDM4E (0.78) KDM4EALOX15TSHRSIRT1HTR1A
SCHEMBL3785757 0.86 KDM4E (0.75) KDM4EALOX15TSHRSIRT1HTR1A
SCHEMBL15233568 0.86 KDM4E (0.75) KDM4EALOX15TSHRSIRT1HTR1A
SCHEMBL15690262 0.84 KDM4E (0.73) KDM4EALOX15TSHRSIRT1DRD2
SCHEMBL30073110 0.84 KDM4E (0.72) KDM4EALOX15TSHRSIRT1HTR1A
SCHEMBL30073106 0.84 KDM4E (0.72) KDM4EALOX15TSHRSIRT1HTR1A
SCHEMBL29676908 0.83 KDM4E (0.71) KDM4EALOX15TSHRSIRT1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10813934-B2 Sirtuin modulators as inhibitors of cytomegalovirus THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2020-10-27 US disclosed
US-20160296523-A1 Sirtuin Modulators as Inhibitors of Cytomegalovirus THE TRUSTEES OF PRINCETON UNIVERSITY 2016-10-13 US disclosed
US-20160296523-A1 Sirtuin Modulators as Inhibitors of Cytomegalovirus THE TRUSTEES OF PRINCETON UNIVERSITY 2016-10-13 US disclosed
US-8999974-B2 Acyl piperazine derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-04-07 US disclosed
US-8999974-B2 Acyl piperazine derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-04-07 US disclosed
US-8993718-B2 Methods and compositions for detecting and modulating O-glycosylation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-03-31 US disclosed
US-8993718-B2 Methods and compositions for detecting and modulating O-glycosylation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-03-31 US disclosed
US-20140187444-A1 METHODS AND COMPOSITIONS FOR DETECTING AND MODULATING O-GLYCOSYLATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-07-03 US disclosed
US-20140187444-A1 METHODS AND COMPOSITIONS FOR DETECTING AND MODULATING O-GLYCOSYLATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-07-03 US disclosed
US-8524444-B2 Methods and compositions for detections and modulating O-glycosylation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-09-03 US disclosed
US-20090326007-A1 Compounds and methods for modulating sir2 protein activity THE WISTAR INSTITUTE 2009-12-31 US disclosed
US-20090326007-A1 Compounds and methods for modulating sir2 protein activity THE WISTAR INSTITUTE 2009-12-31 US disclosed
US-20090326007-A1 Compounds and methods for modulating sir2 protein activity THE WISTAR INSTITUTE 2009-12-31 US disclosed
WO-2008156676-A1 METHODS AND COMPOSITIONS FOR DETECTING AND MODULATING O-GLYCOSYLATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2008-12-24 WO disclosed
US-20080305496-A1 Method for identifying a compound that modulates SIR2 protein activity NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-12-11 US disclosed
US-20080305496-A1 Method for identifying a compound that modulates SIR2 protein activity NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-12-11 US disclosed
CN-1898244-A Triazole derivatives as vasopressin antagonists PFIZER (US) 2007-01-17 CN disclosed
EP-1701959-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS Pfizer Limited (GB) 2006-09-20 EP disclosed
WO-2005063754-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2005-07-14 WO disclosed
US-20050154024-A1 Compounds useful in therapy PFIZER INC 2005-07-14 US 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-10813934-B2 Sirtuin modulators as inhibitors of cytomegalovirus SIRT1, SIRT2, SIRT7 KDM4E 700/4885ALOX15 4803/4885TSHR 4049/4885
US-20160296523-A1 Sirtuin Modulators as Inhibitors of Cytomegalovirus SIRT1, SIRT2, SIRT7 KDM4E 700/4885ALOX15 4803/4885TSHR 4049/4885
US-20050154024-A1 Compounds useful in therapy PTGER4, PTGER3, ALOX5 KDM4E 3377/4885ALOX15 23/4885TSHR 577/4885
US-20090326007-A1 Compounds and methods for modulating sir2 protein activity SIRT2, SIRT1, SIRT3 KDM4E 816/4885ALOX15 4627/4885TSHR 4506/4885

“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.