SCHEMBL20160924

SCHEMBL20160924

Clc1ccc(-c2c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c(-c3ccccc3)c3ccccc3c2-c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
ATM Q13315 1/20 0.53
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 1/20 0.44
GLA P06280 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
MDM2 Q00987 2/20 0.40
HDAC4 P56524 1/20 0.40
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 1/20 0.39
PDE4A P27815 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 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
SCHEMBL21416065 0.93 KDM4E (0.52) KDM4EL3MBTL1ATMKMT2ACYP1A2
SCHEMBL13777103 0.92 L3MBTL1 (0.63) KDM4EL3MBTL1ATMKMT2AHDAC4
SCHEMBL13777104 0.92 L3MBTL1 (0.63) KDM4EL3MBTL1ATMKMT2AHDAC4
SCHEMBL22143442 0.88 KDM4E (0.47) KDM4EL3MBTL1ATMKMT2ACYP1A2
SCHEMBL64830 0.88 L3MBTL1 (0.68) KDM4EL3MBTL1ATMKMT2AHDAC4
SCHEMBL65355 0.88 L3MBTL1 (0.68) KDM4EL3MBTL1ATMKMT2AHDAC4
SCHEMBL12345498 0.88 L3MBTL1 (0.68) KDM4EL3MBTL1ATMKMT2AHDAC4
SCHEMBL13777105 0.88 L3MBTL1 (0.61) KDM4EL3MBTL1ATMKMT2ACYP1A2
SCHEMBL29416722 0.88 L3MBTL1 (0.68) KDM4EL3MBTL1ATMKMT2AHDAC4
SCHEMBL22877774 0.86 KDM4E (0.59) KDM4EL3MBTL1ATMCYP1A2GLA

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.