SCHEMBL20160997

SCHEMBL20160997

Clc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccc(-c4c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c(-c5ccc(Cl)cc5)c4-c4ccc(-n5c6ccccc6c6ccc7c(c65)C5(c6ccccc6-c6ccccc65)c5ccccc5-7)cc4)cc3)c2-c2ccc(-n3c4ccccc4c4ccc5c(c43)C3(c4ccccc4-c4ccccc43)c3ccccc3-5)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 2/20 0.37
KDM4E B2RXH2 3/20 0.33
ATM Q13315 2/20 0.33
MAPK14 Q16539 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
ALDH1A1 P00352 1/20 0.33
DUSP3 P51452 1/20 0.32
PDK2 Q15119 2/20 0.32
MDM4 O15151 1/20 0.32
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
USP2 O75604 1/20 0.31
RAB9A P51151 1/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
GLA P06280 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
SCHEMBL20161201 1.00 MDM2 (0.37) MDM2KDM4EATMMAPK14L3MBTL1
SCHEMBL20161202 1.00 MDM2 (0.37) MDM2KDM4EATMMAPK14L3MBTL1
SCHEMBL17034667 0.90 L3MBTL1 (0.39) KDM4EATMMAPK14L3MBTL1KMT2A
SCHEMBL22143526 0.88 DUSP3 (0.34) KDM4EATML3MBTL1KMT2ADUSP3
SCHEMBL20161057 0.88 DUSP3 (0.34) KDM4EATML3MBTL1KMT2ADUSP3
SCHEMBL22143422 0.88 DUSP3 (0.34) KDM4EATML3MBTL1KMT2ADUSP3
SCHEMBL25869502 0.87 MDM2 (0.35) MDM2MDM4
SCHEMBL17034821 0.86 KDM4E (0.40) KDM4EATML3MBTL1DUSP3
SCHEMBL17034524 0.85 L3MBTL1 (0.39) KDM4EATMMAPK14L3MBTL1KMT2A
SCHEMBL18562994 0.85 L3MBTL1 (0.36) KDM4EATML3MBTL1KMT2AALDH1A1

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 MDM2 2150/4885KDM4E 2457/4885ATM 3290/4885
US-20200203624-A1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP NQO1, ICMT, NUDT1 MDM2 2150/4885KDM4E 2457/4885ATM 3290/4885
US-20230354701-A1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP NQO1, ICMT, NUDT1 MDM2 2150/4885KDM4E 2457/4885ATM 3290/4885

“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.