SCHEMBL13823944

SCHEMBL13823944

COc1ccccc1C(=O)c1nc(Cc2ccccc2C(F)(F)F)nc(O)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.42
ALOX5 P09917 1/20 0.40
RORB Q92753 4/20 0.39
RXFP1 Q9HBX9 1/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.38
CNR2 P34972 2/20 0.37
RORC P51449 1/20 0.37
NFE2L2 Q16236 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL13824042 0.81 MEN1 (0.40) MAOBKDM4ELMNASMN1; SMN2MEN1
SCHEMBL13823964 0.81 RORB (0.47) ALOX5RORBRXFP1LMNAMEN1
SCHEMBL13824041 0.78 STS (0.41) SMN1; SMN2MEN1KMT2ATP53POLB
SCHEMBL13728273 0.76 IDO1 (0.42) MAOBKDM4EKMT2AATM
SCHEMBL13824043 0.76 IDO1 (0.42) ALOX5LMNASMN1; SMN2MEN1KMT2A
SCHEMBL13727700 0.71 CYP3A4 (0.38) KDM4ELMNAMEN1KMT2ATP53
SCHEMBL13729249 0.71 HTR6 (0.50) KDM4ELMNASMN1; SMN2TSHRMAPK1
Trifluoroacetic Acid SCHEMBL28188119 0.66 NPC1 (0.50) MAOBRORBLMNASMN1; SMN2TP53
SCHEMBL15456315 0.65 RNASEH1 (0.43) KDM4ESMN1; SMN2MEN1KMT2APOLB
SCHEMBL13824309 0.65 CNR2 (0.40) ALOX15TSHRMAPK1CNR2RORC

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 MAOB 247/4885ALOX5 804/4885RORB 1260/4885

“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.