SCHEMBL20160993

SCHEMBL20160993

Clc1ccc(-c2c(-c3ccc(-n4c5ccccc5c5c6ccccc6ccc54)cc3)c(-c3ccccc3)c3ccccc3c2-c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.40
KDM4E B2RXH2 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ATM Q13315 1/20 0.38
KMT2A Q03164 2/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
BIRC5 O15392 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GLA P06280 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
MDM2 Q00987 1/20 0.34
CYP1A2 P05177 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL24374075 0.90 KDM4E (0.41) PTGESKDM4EL3MBTL1ATMEGFR
SCHEMBL23733237 0.90 L3MBTL1 (0.44) PTGESKDM4EL3MBTL1ATMKMT2A
SCHEMBL24374073 0.88 KDM4E (0.44) KDM4EL3MBTL1ATMKMT2ABIRC5
SCHEMBL20160924 0.85 KDM4E (0.53) KDM4EL3MBTL1ATMKMT2AMAPT
SCHEMBL21416080 0.85 ATM (0.38) KDM4EL3MBTL1ATMKMT2AMAPT
SCHEMBL23511400 0.84 KDM4E (0.39) KDM4EL3MBTL1ATMKMT2AEGFR
SCHEMBL26492838 0.84 PTGES (0.43) PTGESKDM4EL3MBTL1ATMEGFR
SCHEMBL18819289 0.83 ATM (0.36) PTGESKDM4EL3MBTL1ATMKMT2A
SCHEMBL24949704 0.83 L3MBTL1 (0.36) PTGESKDM4EL3MBTL1ATMKMT2A
SCHEMBL25069496 0.82 KDM4E (0.38) 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 PTGES 830/4885KDM4E 2457/4885L3MBTL1 2196/4885
US-20200203624-A1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP NQO1, ICMT, NUDT1 PTGES 830/4885KDM4E 2457/4885L3MBTL1 2196/4885
US-20230354701-A1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP NQO1, ICMT, NUDT1 PTGES 830/4885KDM4E 2457/4885L3MBTL1 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.