SCHEMBL20161192

SCHEMBL20161192

Cc1c(C)c(-c2ccccc2)c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
ATM Q13315 2/20 0.47
KDM4E B2RXH2 1/20 0.47
KMT2A Q03164 2/20 0.40
RXRA P19793 1/20 0.39
AVPR1A P37288 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
HDAC4 P56524 1/20 0.37
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.36
OXTR P30559 1/20 0.36
ALDH1A1 P00352 3/20 0.36
PTGER4 P35408 1/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP1B1 Q16678 1/20 0.35

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
SCHEMBL20160987 0.92 KDM4E (0.44) L3MBTL1ATMKDM4EKMT2ARXRA
SCHEMBL20161061 0.90 L3MBTL1 (0.52) L3MBTL1ATMKDM4EKMT2ARXRA
SCHEMBL6373814 0.88 L3MBTL1 (0.61) L3MBTL1ATMKDM4EKMT2ARXRA
SCHEMBL29559401 0.88 L3MBTL1 (0.61) L3MBTL1ATMKDM4EKMT2ARXRA
SCHEMBL4546807 0.88 L3MBTL1 (0.61) L3MBTL1ATMKDM4EKMT2ARXRA
SCHEMBL21416079 0.87 L3MBTL1 (0.52) L3MBTL1ATMKDM4EKMT2ARXRA
SCHEMBL22273774 0.87 L3MBTL1 (0.52) L3MBTL1ATMKDM4ESMN1; SMN2HTT
SCHEMBL19295113 0.87 L3MBTL1 (0.59) L3MBTL1ATMKDM4EKMT2ARXRA
SCHEMBL23309049 0.86 L3MBTL1 (0.59) L3MBTL1ATMKDM4EKMT2ARXRA
SCHEMBL21388913 0.86 L3MBTL1 (0.59) L3MBTL1ATMKDM4EKMT2ARXRA

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

“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.