SCHEMBL20161027

SCHEMBL20161027

Cc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccc(C)cc3)c(-c3ccc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)cc3)c2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ATM Q13315 1/20 0.46
GLA P06280 1/20 0.40
KMT2A Q03164 2/20 0.40
MAT2A P31153 1/20 0.40
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
LMNA P02545 3/20 0.39
GAA P10253 2/20 0.39
AKR1C4 P17516 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 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
SCHEMBL20161028 0.87 KDM4E (0.42) KDM4EL3MBTL1ATMGLAKMT2A
SCHEMBL15451725 0.85 KDM4E (0.64) KDM4EL3MBTL1ATMKMT2AMAPT
SCHEMBL22143442 0.84 KDM4E (0.47) KDM4EL3MBTL1ATMGLAKMT2A
SCHEMBL20161021 0.84 AHR (0.38) KDM4EL3MBTL1ATMGLAMAPT
SCHEMBL12225578 0.84 KDM4E (0.50) KDM4EL3MBTL1ATMKMT2AMAPT
SCHEMBL20160924 0.83 KDM4E (0.53) KDM4EL3MBTL1ATMGLAKMT2A
SCHEMBL14900797 0.83 KDM4E (0.50) KDM4EL3MBTL1ATMKMT2AMAPT
SCHEMBL29892267 0.82 MAT2A (0.47) KDM4EL3MBTL1ATMMAT2AMAPT
SCHEMBL22143726 0.82 AKR1C4 (0.41) KDM4EL3MBTL1ATMKMT2AMAPT
SCHEMBL15681171 0.82 L3MBTL1 (0.60) KDM4EL3MBTL1ATMKMT2AMAPT

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 KDM4E 2457/4885L3MBTL1 2196/4885ATM 3290/4885
US-20200203624-A1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP NQO1, ICMT, NUDT1 KDM4E 2457/4885L3MBTL1 2196/4885ATM 3290/4885
US-20230354701-A1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP NQO1, ICMT, NUDT1 KDM4E 2457/4885L3MBTL1 2196/4885ATM 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.