SCHEMBL13823960

SCHEMBL13823960

Cc1cccc(-c2nc(O)c(O)c(C(=O)NCCC(C)C)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ERCC1 P07992 3/20 0.44
FEN1 P39748 3/20 0.44
ERCC4 Q92889 3/20 0.44
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CNR1 P21554 1/20 0.42
EGLN1 Q9GZT9 1/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 3/20 0.40
KCNT1 Q5JUK3 1/20 0.40
KMT2A Q03164 1/20 0.39

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
SCHEMBL13823951 0.87 GABRG2 (0.51) ERCC1FEN1ERCC4HPGDKDM4E
SCHEMBL13824303 0.86 CNR1 (0.53) SMN1; SMN2NPC1RAB9AERCC1FEN1
SCHEMBL13823949 0.85 POLB (0.46) SMN1; SMN2NPC1RAB9AHPGDKDM4E
SCHEMBL13823945 0.85 CASP6 (0.45) SMN1; SMN2NPC1RAB9AERCC1FEN1
SCHEMBL5113709 0.81 TSHR (0.54) SMN1; SMN2EGLN1MAPTTP53KMT2A
SCHEMBL13824129 0.80 MLLT1 (0.46) SMN1; SMN2NPC1HPGDALDH1A1CNR1
SCHEMBL13824037 0.79 GAA (0.51) SMN1; SMN2MAPTKMT2A
SCHEMBL13823936 0.78 POLB (0.61) SMN1; SMN2NPC1RAB9AHPGDKDM4E
SCHEMBL5127665 0.78 MAPT (0.48) NPC1RAB9AHPGDALDH1A1EGLN1
SCHEMBL5125378 0.78 EGLN1 (0.50) EGLN1KMT2A

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 SMN1; SMN2 4098/4885NPC1 2298/4885RAB9A 3240/4885

“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.