SCHEMBL13823945

SCHEMBL13823945

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.45
ALDH1A1 P00352 3/20 0.44
POLB P06746 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CNR2 P34972 1/20 0.42
NAMPT P43490 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
ERCC1 P07992 2/20 0.41
FEN1 P39748 2/20 0.41
ERCC4 Q92889 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CCR2 P41597 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41

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
SCHEMBL13823960 0.85 SMN1; SMN2 (0.46) ALDH1A1NPC1RAB9ASMN1; SMN2ERCC1
SCHEMBL13823966 0.81 PTGER4 (0.52) ALDH1A1RAB9ACNR2CYP1A2CYP2C19
SCHEMBL13823958 0.80 GSK3B (0.51) SMN1; SMN2NAMPT
SCHEMBL13824305 0.80 GPR139 (0.51) CYP1A2CYP2C19
SCHEMBL13823937 0.79 POLB (0.63) ALDH1A1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL13728168 0.79 CTSL (0.40) CYP1A2CYP2C19CTSL
SCHEMBL13824303 0.78 CNR1 (0.53) ALDH1A1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL13824171 0.78 LMNA (0.56) POLBRAB9AKDM4EMEN1KMT2A
SCHEMBL13876809 0.76 ALDH1A1 (0.49) ALDH1A1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL13729683 0.74 ALDH1A1 (0.49) ALDH1A1NPC1RAB9ACNR2NPSR1

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 CASP6 3572/4885ALDH1A1 1277/4885POLB 329/4885

“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.