SCHEMBL13823964

SCHEMBL13823964

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORB Q92753 5/20 0.47
RORC P51449 1/20 0.46
GPR52 Q9Y2T5 2/20 0.44
RXFP1 Q9HBX9 3/20 0.42
SCD O00767 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
ALOX5 P09917 1/20 0.41
NPC1 O15118 1/20 0.40
APLNR P35414 1/20 0.40
NCS1 P62166 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL13824043 0.86 IDO1 (0.42) LMNAALOX5NPC1MEN1KMT2A
SCHEMBL13823944 0.81 MAOB (0.42) RORBRORCRXFP1LMNATSHR
SCHEMBL13824041 0.80 STS (0.41) NPC1APLNRMEN1KMT2A
SCHEMBL13731334 0.77 HTR2C (0.47)
SCHEMBL13728657 0.76 ADORA2A (0.40) GPR52SCDNPC1MEN1KMT2A
SCHEMBL13728150 0.75 KMT2A (0.43) GPR52NPC1MEN1KMT2A
SCHEMBL11504586 0.73 RORB (0.60) RORBRORCRXFP1LMNATSHR
SCHEMBL15592673 0.73 EGLN1 (0.41) TSHRNPC1MEN1KMT2A
SCHEMBL24611387 0.67 PDE2A (0.43) GPR52SCDMEN1KMT2A
SCHEMBL29790329 0.67 PDE2A (0.43) GPR52SCDMEN1KMT2A

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 RORB 1260/4885RORC 949/4885GPR52 2841/4885

“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.