SCHEMBL598444

SCHEMBL598444

Nc1ccn([C@H]2CC(CO)[C@@H](CO)O2)c(=O)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.59
PDE3A Q14432 3/20 0.59
CACNA1F O60840 2/20 0.59
ALB P02768 2/20 0.59
MAPT P10636 2/20 0.59
CACNA1D Q01668 2/20 0.59
CACNA1S Q13698 2/20 0.59
CACNA1C Q13936 2/20 0.59
THRB P10828 1/20 0.58
MTOR P42345 1/20 0.58
MDM2 Q00987 1/20 0.58
NCOA1 Q15788 1/20 0.58
NCOA3 Q9Y6Q9 1/20 0.58
PDE4D Q08499 1/20 0.55
SLC29A1 Q99808 1/20 0.55
POLB P06746 2/20 0.52
ADRB1 P08588 1/20 0.50
DNMT1 P26358 1/20 0.50
POLG P54098 2/20 0.44
P2RY2 P41231 3/20 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
SCHEMBL13036658 1.00 LMNA (0.59) LMNAPDE3ACACNA1FALBMAPT
SCHEMBL598443 1.00 LMNA (0.59) LMNAPDE3ACACNA1FALBMAPT
SCHEMBL27820622 1.00 LMNA (0.59) LMNAPDE3ACACNA1FALBMAPT
SCHEMBL25082481 0.91 LMNA (0.56) LMNAPDE3ACACNA1FALBMAPT
SCHEMBL846006 0.88 LMNA (0.53) LMNAPDE3ACACNA1FALBMAPT
SCHEMBL13036646 0.88 LMNA (0.53) LMNAPDE3ACACNA1FALBMAPT
SCHEMBL25386540 0.88 LMNA (0.53) LMNAPDE3ACACNA1FALBMAPT
Doxecitine SCHEMBL23178 0.87 DNMT1 (0.66) LMNAPDE3ACACNA1FALBMAPT
Doxecitine SCHEMBL23346798 0.87 DNMT1 (0.66) LMNAPDE3ACACNA1FALBMAPT
SCHEMBL21423133 0.87 LMNA (0.59) LMNAPDE3ACACNA1FALBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509949-B1 PYRIDINONE HYDROXYCYCLOPENTYL CARBOXAMIDES: HIV INTEGRASE INHIBITORS WITH THERAPEUTIC APPLICATIONS UNIV GEORGIA (US) 2014-04-23 EP claimed
US-8703801-B2 Pyridinone hydroxycyclopentyl carboxamides: HIV integrase inhibitors with therapeutic applications UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2014-04-22 US claimed
US-20120282218-A1 PYRIDINONE HYDROXYCYCLOPENTYL CARBOXAMIDES: HIV INTEGRASE INHIBITORS WITH THERAPEUTIC APPLICATIONS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION INC. (US) 2012-11-08 US claimed
EP-2509949-A2 PYRIDINONE HYDROXYCYCLOPENTYL CARBOXAMIDES: HIV INTEGRASE INHIBITORS WITH THERAPEUTIC APPLICATIONS University Of Georgia Research Foundation, Inc. (US) 2012-10-17 EP claimed
WO-2011071849-A2 PYRIDINONE HYDROXYCYCLOPENTYL CARBOXAMIDES: HIV INTEGRASE INHIBITORS WITH THERAPEUTIC APPLICATIONS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2011-06-16 WO claimed
US-7829548-B2 Compounds useful in the treatment of HIV MEDIVIR AB (SE) 2010-11-09 US claimed
US-20100092427-A1 Pyridinone Diketo Acids: Inhibitors of HIV Replication in Combination Therapy THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION (US) 2010-04-15 US claimed
EP-2046328-A2 PYRIDINONE DIKETO ACIDS: INHIBITORS OF HIV REPLICATION IN COMBINATION THERAPY UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2009-04-15 EP claimed
EP-1835916-B1 COMPOUNDS USEFUL IN THE TREATMENT OF HIV MEDIVIR AB (SE) 2009-04-01 EP claimed
WO-2008010953-A2 PYRIDINONE DIKETO ACIDS: INHIBITORS OF HIV REPLICATION IN COMBINATION THERAPY UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2008-01-24 WO claimed
US-20070264241-A1 Compounds for Enhanced Cancer Therapy ZGENE A/S (DK) 2007-11-15 US claimed
WO-2007106450-A2 DIKETO ACIDS WITH NUCLEOBASE SCAFFOLDS: ANTI-HIV REPLICATION INHIBITORS TARGETED AT HIV INTEGRASE IN COMBINATION THERAPY UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2007-09-20 WO claimed
US-9650360-B2 Anti-mycobacterial drugs against tuberculosis UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2017-05-16 US disclosed
EP-2831056-B1 NEW ANTI-MYCOBACTERIAL DRUGS AGAINST TUBERCULOSIS THE UNIV OF GEORGIA RES FOUND INC (US) 2016-12-14 EP disclosed
US-20150050237-A1 NEW ANTI-MYCOBACTERIAL DRUGS AGAINST TUBERCULOSIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-02-19 US disclosed
EP-2831056-A1 NEW ANTI-MYCOBACTERIAL DRUGS AGAINST TUBERCULOSIS The University Of Georgia Research Foundation, Inc (US) 2015-02-04 EP disclosed
WO-2003063771-A2 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL IINFECTIONS PHARMASSET LTD. (BB) 2003-08-07 WO disclosed
WO-2003051306-A2 N4-ACYLCYTOSINE-1,3-DIOXOLANE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS PHARMASSET LTD. (BB) 2003-06-26 WO disclosed
EP-1284741-A2 3'-OR 2'-HYDROXYMETHYL SUBSTITUTED NUCLEOSIDE DERIVATIVES FOR TREATMENT OF HEPATITIS VIRUS INFECTIONS Pharmasset, Ltd. (BB) 2003-02-26 EP disclosed
WO-2001079246-A2 3'-OR 2'-HYDROXYMETHYL SUBSTITUTED NUCLEOSIDE DERIVATIVES FOR TREATMENT OF HEPATITIS VIRUS INFECTIONS PHARMASSET, LTD. (BB) 2001-10-25 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-20100092427-A1 Pyridinone Diketo Acids: Inhibitors of HIV Replication in Combination Therapy TKT, DHFR, DTYMK LMNA 3285/4885PDE3A 2252/4885CACNA1F 4818/4885
US-20120282218-A1 PYRIDINONE HYDROXYCYCLOPENTYL CARBOXAMIDES: HIV INTEGRASE INHIBITORS WITH THERAPEUTIC APPLICATIONS PAICS, DUT, AADAC LMNA 3895/4885PDE3A 1789/4885CACNA1F 4632/4885
US-20070264241-A1 Compounds for Enhanced Cancer Therapy TYMP, BAD, NUDT1 LMNA 1899/4885PDE3A 779/4885CACNA1F 4839/4885
US-20150050237-A1 NEW ANTI-MYCOBACTERIAL DRUGS AGAINST TUBERCULOSIS FNTB, ABCC1, TBCD LMNA 3477/4885PDE3A 3181/4885CACNA1F 4094/4885

“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.