SCHEMBL20161028

SCHEMBL20161028

Cc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccc(C)cc3)c(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)cc3)c2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GLA P06280 1/20 0.40
PDE9A O76083 1/20 0.40
PDE1C Q14123 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 3/20 0.39
ALDH1A1 P00352 4/20 0.39
NPSR1 Q6W5P4 2/20 0.39
RXFP1 Q9HBX9 2/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MDM2 Q00987 1/20 0.37
MAT2A P31153 1/20 0.37
USP14 P54578 1/20 0.37

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
SCHEMBL20161027 0.87 KDM4E (0.46) KDM4EATML3MBTL1GLAPDE9A
SCHEMBL15451799 0.85 KDM4E (0.59) KDM4EATML3MBTL1KMT2AMAPT
SCHEMBL19342622 0.82 L3MBTL1 (0.55) KDM4EATML3MBTL1KMT2AMAPT
SCHEMBL6569351 0.82 KDM4E (0.52) KDM4EATML3MBTL1KMT2AMAPT
SCHEMBL20160924 0.81 KDM4E (0.53) KDM4EATML3MBTL1GLAKMT2A
SCHEMBL22143522 0.80 ALDH1A1 (0.39) KDM4EATML3MBTL1KMT2AMAPT
SCHEMBL18593810 0.80 L3MBTL1 (0.61) KDM4EATML3MBTL1KMT2AMAPT
SCHEMBL17245347 0.80 L3MBTL1 (0.61) KDM4EATML3MBTL1KMT2AMAPT
SCHEMBL20161077 0.79 LIPG (0.48) KDM4EATML3MBTL1PDE9APDE1C
SCHEMBL17691671 0.79 KDM4E (0.49) KDM4EATML3MBTL1KMT2AMAPT

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

“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.