SCHEMBL20161036

SCHEMBL20161036

Cc1c(C)c(-c2ccccc2)c(-n2c3ccccc3c3ccccc32)c(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc2)c1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP1B1 Q16678 1/20 0.38
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ATM Q13315 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
XBP1 P17861 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
DHODH Q02127 1/20 0.36
BRD4 O60885 1/20 0.36
KDM4E B2RXH2 1/20 0.35
AVPR1A P37288 1/20 0.35
NR1H2 P55055 1/20 0.33

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
SCHEMBL20161195 0.88 L3MBTL1 (0.44) L3MBTL1CYP1A1CYP1A2CYP1B1KMT2A
SCHEMBL21085321 0.87 KMT2A (0.43) L3MBTL1CYP1A1CYP1A2CYP1B1KMT2A
SCHEMBL19269642 0.86 L3MBTL1 (0.43) L3MBTL1CYP1A1CYP1A2CYP1B1KMT2A
SCHEMBL19270854 0.86 L3MBTL1 (0.43) L3MBTL1CYP1A1CYP1A2CYP1B1KMT2A
SCHEMBL19270039 0.86 L3MBTL1 (0.43) L3MBTL1CYP1A1CYP1A2CYP1B1KMT2A
SCHEMBL20161192 0.84 L3MBTL1 (0.47) L3MBTL1CYP1A1CYP1A2CYP1B1KMT2A
SCHEMBL21077223 0.84 KMT2A (0.41) L3MBTL1CYP1A1CYP1A2CYP1B1KMT2A
SCHEMBL23054610 0.84 L3MBTL1 (0.43) L3MBTL1KMT2AMEN1ALDH1A1MAPT
SCHEMBL20110554 0.84 L3MBTL1 (0.43) L3MBTL1KMT2AMEN1ALDH1A1MAPT
SCHEMBL22143682 0.83 MEN1 (0.49) L3MBTL1KMT2AMEN1ALDH1A1MAPT

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 2196/4885CYP1A1 483/4885CYP1A2 394/4885
US-20200203624-A1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP NQO1, ICMT, NUDT1 L3MBTL1 2196/4885CYP1A1 483/4885CYP1A2 394/4885
US-20230354701-A1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP NQO1, ICMT, NUDT1 L3MBTL1 2196/4885CYP1A1 483/4885CYP1A2 394/4885

“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.