SCHEMBL20161183

SCHEMBL20161183

Cc1c(C)c(-c2ccccc2)c(-c2ccc(N3c4ccccc4C(C)(C)c4ccccc43)cc2)c(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
EGLN1 Q9GZT9 3/20 0.34
MAPT P10636 3/20 0.32
LMNA P02545 3/20 0.32
HSP90AA1 P07900 1/20 0.32
GAA P10253 1/20 0.32
ADAMTS5 Q9UNA0 1/20 0.32
PGR P06401 2/20 0.32
PDE6D O43924 1/20 0.32
NR1H3 Q13133 3/20 0.31
NR1H2 P55055 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL17278591 0.91 L3MBTL1 (0.42) L3MBTL1EGLN1MAPTLMNAADAMTS5
SCHEMBL29397786 0.91 L3MBTL1 (0.42) L3MBTL1EGLN1MAPTLMNAADAMTS5
SCHEMBL17278546 0.91 L3MBTL1 (0.42) L3MBTL1EGLN1MAPTLMNAADAMTS5
SCHEMBL17278548 0.89 L3MBTL1 (0.41) L3MBTL1EGLN1MAPTADAMTS5PGR
SCHEMBL17278590 0.89 L3MBTL1 (0.41) L3MBTL1EGLN1MAPTADAMTS5PGR
SCHEMBL17278553 0.89 L3MBTL1 (0.41) L3MBTL1EGLN1MAPTADAMTS5PGR
SCHEMBL17278547 0.89 L3MBTL1 (0.41) L3MBTL1EGLN1MAPTADAMTS5PGR
SCHEMBL25775028 0.88 L3MBTL1 (0.53) L3MBTL1EGLN1MAPTLMNAADAMTS5
SCHEMBL17278574 0.88 PGR (0.42) L3MBTL1EGLN1MAPTLMNAPGR
SCHEMBL17278593 0.88 KMT2A (0.36) L3MBTL1EGLN1MAPTLMNAGAA

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 2196/4885EGLN1 4667/4885MAPT 3256/4885
US-20200203624-A1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP NQO1, ICMT, NUDT1 L3MBTL1 2196/4885EGLN1 4667/4885MAPT 3256/4885
US-20230354701-A1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP NQO1, ICMT, NUDT1 L3MBTL1 2196/4885EGLN1 4667/4885MAPT 3256/4885

“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.