SCHEMBL13823937

SCHEMBL13823937

O=C(NCc1ccco1)c1nc(-c2cccc(C(F)(F)F)c2)nc(O)c1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.63
TSHR P16473 4/20 0.54
MLYCD O95822 1/20 0.49
GAA P10253 1/20 0.48
HSD17B10 Q99714 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
USP2 O75604 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HPGD P15428 4/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NPC1 O15118 2/20 0.46
MAPK1 P28482 1/20 0.45
RECQL P46063 1/20 0.45
TP53 P04637 1/20 0.44

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
SCHEMBL13823966 0.85 PTGER4 (0.52) MLYCDGAAMEN1KMT2ATDP1
SCHEMBL13823936 0.85 POLB (0.61) POLBTSHRGAAHSD17B10USP2
SCHEMBL13823958 0.83 GSK3B (0.51) MLYCDSMN1; SMN2
SCHEMBL13823945 0.79 CASP6 (0.45) POLBHSD17B10MEN1KMT2AHPGD
SCHEMBL13728299 0.79 POLB (0.51) POLBTSHRMLYCDGAAHSD17B10
SCHEMBL13824171 0.77 LMNA (0.56) POLBMEN1KMT2AKDM4EMAPK1
SCHEMBL13824029 0.74 TSHR (0.56) POLBTSHRMLYCDHSD17B10MEN1
SCHEMBL5251958 0.74 ALDH1A1 (0.58) POLBTSHRGAAHSD17B10MEN1
SCHEMBL13729683 0.73 ALDH1A1 (0.49) HSD17B10MEN1KMT2AALDH1A1KDM4E
SCHEMBL13824305 0.73 GPR139 (0.51) L3MBTL1

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 POLB 329/4885TSHR 2883/4885MLYCD 4055/4885

“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.