SCHEMBL13824043

SCHEMBL13824043

COc1ccccc1C(=O)c1nc(Cc2cccc(C)c2)nc(O)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ADORA2A P29274 1/20 0.40
KCNMA1 Q12791 1/20 0.39
GAA P10253 2/20 0.39
EGLN1 Q9GZT9 1/20 0.39
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
TP53 P04637 1/20 0.39
ALOX5 P09917 2/20 0.39
HTT P42858 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CNR2 P34972 1/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL13823964 0.86 RORB (0.47) NPC1ALOX5MEN1KMT2ALMNA
SCHEMBL13824041 0.84 STS (0.41) NPC1TP53MEN1KMT2ACNR2
SCHEMBL13823965 0.82 EGLN1 (0.45) NPC1RAB9AEGLN1HTTMEN1
SCHEMBL13824122 0.81 VNN1 (0.44) GAAKCNK3KCNK9TP53HTT
SCHEMBL13824308 0.77 EGLN1 (0.42) NPC1RAB9AEGLN1MEN1KMT2A
SCHEMBL31037849 0.76 DHPS (0.49) ADORA2ATP53ALOX5HTTMEN1
SCHEMBL13729637 0.76 HTR6 (0.49) IDO1EGLN1TP53MEN1KMT2A
SCHEMBL13823947 0.74 NPC1 (0.43) NPC1RAB9AGAAALOX5HTT
SCHEMBL8809386 0.71 RAB9A (0.69) IDO1TDO2NPC1RAB9AKCNMA1
SCHEMBL13728150 0.69 KMT2A (0.43) NPC1RAB9AEGLN1TP53MEN1

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-9328075-B2 Pyrimidinone compounds and methods for treating influenza ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2016-05-03 US disclosed
US-9328075-B2 Pyrimidinone compounds and methods for treating influenza ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2016-05-03 US disclosed
US-9328075-B2 Pyrimidinone compounds and methods for treating influenza ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2016-05-03 US disclosed
US-20140079666-A1 PYRIMIDINONE COMPOUNDS AND METHODS FOR PREVENTING AND TREATING INFLUENZA ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2014-03-20 US disclosed
US-20140079666-A1 PYRIMIDINONE COMPOUNDS AND METHODS FOR PREVENTING AND TREATING INFLUENZA ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2014-03-20 US disclosed
US-20140079666-A1 PYRIMIDINONE COMPOUNDS AND METHODS FOR PREVENTING AND TREATING INFLUENZA ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2014-03-20 US disclosed
WO-2012151567-A1 PYRIMIDINONE COMPOUNDS AND METHODS FOR PREVENTING AND TREATING INFLUENZA ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2012-11-08 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 (1 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-20140079666-A1 PYRIMIDINONE COMPOUNDS AND METHODS FOR PREVENTING AND TREATING INFLUENZA ADA, TYMP, ITPA IDO1 5/4885TDO2 407/4885NPC1 2298/4885

“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.