SCHEMBL13488596

SCHEMBL13488596

COC(=O)c1c(C)[nH]c(C)c1C

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.66
KMT2A Q03164 5/20 0.53
LMNA P02545 5/20 0.53
ALDH1A1 P00352 4/20 0.53
POLB P06746 2/20 0.53
MAPT P10636 6/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
MEN1 O00255 3/20 0.53
KDM4E B2RXH2 2/20 0.53
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
NR4A2 P43354 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
GAA P10253 4/20 0.47
TSHR P16473 2/20 0.47
HTT P42858 2/20 0.47
HPGD P15428 1/20 0.46

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
SCHEMBL7256405 0.83 NPSR1 (0.79) NPSR1KMT2ALMNAALDH1A1POLB
SCHEMBL13780967 0.82 HPGD (0.46) NPSR1KMT2ALMNAALDH1A1POLB
SCHEMBL16090202 0.81 NPSR1 (0.59) NPSR1KMT2ALMNAALDH1A1POLB
SCHEMBL6960896 0.80 HPGD (0.44) NPSR1KMT2ALMNAALDH1A1POLB
SCHEMBL7290595 0.80 NPSR1 (0.53) NPSR1KMT2ALMNAALDH1A1POLB
SCHEMBL7293758 0.80 LMNA (0.56) NPSR1KMT2ALMNAALDH1A1POLB
SCHEMBL15331397 0.79 ALDH1A1 (0.58) NPSR1KMT2ALMNAALDH1A1POLB
SCHEMBL11652842 0.78 HPGD (0.72) KMT2ALMNAALDH1A1POLBMAPT
SCHEMBL6468905 0.78 NPSR1 (0.52) NPSR1KMT2ALMNAALDH1A1POLB
SCHEMBL15803898 0.78 NPSR1 (0.47) NPSR1KMT2ALMNAALDH1A1POLB

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3885343-A1 INDOLE COMPOUNDS AS EZH2 INHIBITORS AND USES THEREOF Dana-Farber Cancer Institute, Inc. (US) 2021-09-29 EP disclosed
US-9951074-B2 Dihydropteridinone derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-04-24 US disclosed
US-20170145023-A1 DIAZEPANE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-05-25 US disclosed
US-20170145013-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-05-25 US disclosed
WO-2016201370-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-12-15 WO disclosed
WO-2016022970-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-02-11 WO disclosed
US-8852757-B2 Organic electroluminescence element, lighting device and display device KONICA MINOLTA HOLDINGS, INC. (JP) 2014-10-07 US disclosed
US-20100045171-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, LIGHTING DEVICE AND DISPLAY DEVICE KONICA MINOLTA HOLDINGS, INC. (JP) 2010-02-25 US 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 (2 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-20170145013-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF BRDT, BRD4, BRD3 NPSR1 3672/4885KMT2A 1790/4885LMNA 753/4885
US-20170145023-A1 DIAZEPANE DERIVATIVES AND USES THEREOF BRDT, BRD4, BAZ2A NPSR1 2941/4885KMT2A 962/4885LMNA 744/4885

“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.