SCHEMBL20160988

SCHEMBL20160988

Cc1c(C)c(-c2ccccc2)c(-c2ccc(N3c4ccccc4Oc4ccccc43)cc2)c(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
P2RX4 Q99571 3/20 0.33
LMNA P02545 5/20 0.33
MAPT P10636 4/20 0.33
HSP90AA1 P07900 1/20 0.33
GAA P10253 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
BRD4 O60885 1/20 0.32
PDE6D O43924 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 3/20 0.32

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
SCHEMBL16271063 0.89 P2RX4 (0.40) L3MBTL1P2RX4LMNAMAPTNPC1
SCHEMBL29358029 0.89 P2RX4 (0.40) L3MBTL1P2RX4LMNAMAPTNPC1
SCHEMBL29362304 0.89 P2RX4 (0.40) L3MBTL1P2RX4LMNAMAPTNPC1
SCHEMBL30767826 0.89 P2RX4 (0.40) L3MBTL1P2RX4LMNAMAPTNPC1
SCHEMBL16271052 0.89 P2RX4 (0.40) L3MBTL1P2RX4LMNAMAPTNPC1
SCHEMBL17278491 0.88 NPC1 (0.44) L3MBTL1P2RX4LMNAMAPTNPC1
SCHEMBL20161194 0.88 L3MBTL1 (0.44) L3MBTL1LMNAMAPTHSP90AA1GAA
SCHEMBL17278502 0.87 P2RX4 (0.39) L3MBTL1P2RX4LMNAMAPTNPC1
SCHEMBL17278487 0.87 PDE6D (0.40) L3MBTL1P2RX4LMNAMAPTNPC1
SCHEMBL17278517 0.87 PDE6D (0.40) L3MBTL1P2RX4LMNAMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230354701-A1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP MERCK PATENT GMBH (DE) 2023-11-02 US disclosed
US-20230354701-A1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP MERCK PATENT GMBH (DE) 2023-11-02 US disclosed
EP-4271163-A2 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP Merck Patent GmbH (DE) 2023-11-01 EP disclosed
US-11711976-B2 Compounds with an acceptor and a donor group MERCK PATENT GMBH (DE) 2023-07-25 US disclosed
US-11711976-B2 Compounds with an acceptor and a donor group MERCK PATENT GMBH (DE) 2023-07-25 US disclosed
US-20200203624-A1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP MERCK PATENT GMBH (DE) 2020-06-25 US disclosed
WO-2018087346-A1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP MERCK PATENT GMBH (DE) 2018-05-17 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-11711976-B2 Compounds with an acceptor and a donor group NQO1, ICMT, NUDT1 L3MBTL1 2196/4885P2RX4 992/4885LMNA 4314/4885
US-20200203624-A1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP NQO1, ICMT, NUDT1 L3MBTL1 2196/4885P2RX4 992/4885LMNA 4314/4885
US-20230354701-A1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP NQO1, ICMT, NUDT1 L3MBTL1 2196/4885P2RX4 992/4885LMNA 4314/4885

“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.