SCHEMBL4872329

SCHEMBL4872329

C=CCN(C(=O)OC(C)(C)C)c1cccc(C(=O)OCC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
GAA P10253 3/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 1/20 0.39
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
MEP1B Q16820 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL4878980 0.86 TSHR (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL2494883 0.82 LMNA (0.43) LMNAMAPTNPSR1ALDH1A1NPC1
SCHEMBL5281192 0.82 NPC1 (0.47) LMNAMAPTNPSR1ALDH1A1NPC1
SCHEMBL10145149 0.81 NPC1 (0.47) LMNAMAPTNPSR1ALDH1A1NPC1
SCHEMBL14898280 0.80 LMNA (0.49) LMNAMAPTNPSR1ALDH1A1NPC1
SCHEMBL30877124 0.80 MTNR1A (0.39) NPSR1TSHR
SCHEMBL31679552 0.80 HDAC1 (0.37) MAPTNPSR1ALDH1A1GAAHPGD
SCHEMBL4876996 0.79 LMNA (0.48) LMNAMAPTNPSR1ALDH1A1NPC1
SCHEMBL16141841 0.79 L3MBTL1 (0.38) NPSR1POLBTSHR
SCHEMBL9135663 0.78 MEP1B (0.41) LMNAMAPTNPSR1ALDH1A1NPC1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11702426-B2 Macrocyclic deaza-purinones for the treatment of viral infections Janssen Sciences Ireland Unlimited Company (IE) 2023-07-18 US disclosed
US-11702426-B2 Macrocyclic deaza-purinones for the treatment of viral infections Janssen Sciences Ireland Unlimited Company (IE) 2023-07-18 US disclosed
US-20210122760-A1 MACROCYCLIC DEAZA-PURINONES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2021-04-29 US disclosed
US-10829494-B2 Macrocyclic deaza-purinones for the treatment of viral infections Janssen Sciences Ireland Unlimited Company (IE) 2020-11-10 US disclosed
US-20190330222-A1 MACROCYCLIC DEAZA-PURINONES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2019-10-31 US disclosed
EP-2978429-B1 MACROCYCLIC DEAZA-PURINONES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UC (IE) 2017-02-22 EP disclosed
US-20160304531-A1 MACROCYCLIC DEAZA-PURINONES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UC 2016-10-20 US disclosed
US-20160304531-A1 MACROCYCLIC DEAZA-PURINONES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UC 2016-10-20 US disclosed
WO-2014154859-A1 MACROCYCLIC DEAZA-PURINONES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN R&D IRELAND (IE) 2014-10-02 WO disclosed
US-20080132477-A1 Macrocyclic Compounds Useful as Bace Inhibitors NOVARTIS AG (CH) 2008-06-05 US disclosed
EP-1851208-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS Novartis AG (CH) 2007-11-07 EP disclosed
WO-2006074950-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2006-07-20 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 (6 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-20210122760-A1 MACROCYCLIC DEAZA-PURINONES FOR THE TREATMENT OF VIRAL INFECTIONS DHX15, MAVS, DDX18 LMNA 1098/4885MAPT 2914/4885NPSR1 3682/4885
US-20160304531-A1 MACROCYCLIC DEAZA-PURINONES FOR THE TREATMENT OF VIRAL INFECTIONS DHX15, MAVS, DDX18 LMNA 1098/4885MAPT 2914/4885NPSR1 3682/4885
US-11702426-B2 Macrocyclic deaza-purinones for the treatment of viral infections DHX15, MAVS, DDX18 LMNA 1098/4885MAPT 2914/4885NPSR1 3682/4885
US-10829494-B2 Macrocyclic deaza-purinones for the treatment of viral infections DHX15, MAVS, DDX18 LMNA 1098/4885MAPT 2914/4885NPSR1 3682/4885
US-20190330222-A1 MACROCYCLIC DEAZA-PURINONES FOR THE TREATMENT OF VIRAL INFECTIONS DHX15, MAVS, DDX18 LMNA 1098/4885MAPT 2914/4885NPSR1 3682/4885
US-20080132477-A1 Macrocyclic Compounds Useful as Bace Inhibitors BACE1, BACE2, APP LMNA 2173/4885MAPT 37/4885NPSR1 1892/4885

“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.