SCHEMBL13383564

SCHEMBL13383564

O=C(Nc1nc(O)ncc1F)Oc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KMT2A Q03164 3/20 0.43
F2 P00734 1/20 0.43
F12 P00748 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
CDK5 Q00535 1/20 0.43
ALDH1A1 P00352 6/20 0.42
MAPT P10636 3/20 0.42
RAD51 Q06609 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
IDO1 P14902 1/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 2/20 0.40
FAAH O00519 1/20 0.40
MEN1 O00255 2/20 0.40
THRB P10828 1/20 0.40
GFER P55789 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
SCHEMBL13383562 0.86 AURKA (0.41) NPC1RAB9AKMT2AALDH1A1MAPT
SCHEMBL13383587 0.79 AURKA (0.37) ALDH1A1MAPK1AURKA
SCHEMBL13383578 0.78 AURKA (0.55) NPC1RAB9AKMT2ACDK2MEN1
SCHEMBL13530368 0.78 ALDH1A1 (0.50) NPC1RAB9AKMT2ACCNE1CDK2
SCHEMBL15424939 0.78 AURKA (0.35) AURKAJAK2AURKB
SCHEMBL1270948 0.77 SMN1; SMN2 (0.50) NPC1RAB9AKMT2ACDK2CDK5
SCHEMBL3183680 0.77 KMT2A (0.46) KMT2AALDH1A1MAPTKDM4ECYP1A2
SCHEMBL15890236 0.75 NPC1 (0.50) NPC1RAB9ANPSR1KMT2AF2
SCHEMBL25160143 0.74 KMT2A (0.48) NPC1RAB9ANPSR1KMT2ACCNE1
SCHEMBL25278641 0.73 RAB9A (0.50) NPC1RAB9ANPSR1KMT2AF2

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-20140296065-A1 USE OF 5-FLUOROCYTOSINE AS A FUNGICIDE DOW AGROSCIENCES LLC (IN) 2014-10-02 US disclosed
US-20140296065-A1 USE OF 5-FLUOROCYTOSINE AS A FUNGICIDE DOW AGROSCIENCES LLC (IN) 2014-10-02 US disclosed
EP-2317851-B1 USE OF 5-FLUOROCYTOSINE AS A FUNGICIDE DOW AGROSCIENCES LLC (US) 2014-01-15 EP disclosed
EP-2647287-A1 Use of 5-fluorocytosine and its derivatives as fungicides Dow AgroSciences LLC (US) 2013-10-09 EP disclosed
WO-2010047866-A2 USE OF 5-FLUOROCYTOSINE AS A FUNGICIDE DOW AGROSCIENCES LLC (US) 2010-04-29 WO disclosed
US-20100029482-A1 USE OF 5-FLUOROCYTOSINE AS A FUNGICIDE DOW AGROSCIENCES LLC 2010-02-04 US disclosed
US-20100029482-A1 USE OF 5-FLUOROCYTOSINE AS A FUNGICIDE DOW AGROSCIENCES LLC 2010-02-04 US 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 (2 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-20100029482-A1 USE OF 5-FLUOROCYTOSINE AS A FUNGICIDE PFAS, DCTD, MTAP NPC1 3756/4885RAB9A 954/4885NPSR1 4467/4885
US-20140296065-A1 USE OF 5-FLUOROCYTOSINE AS A FUNGICIDE PFAS, DCTD, MTAP NPC1 3756/4885RAB9A 954/4885NPSR1 4467/4885

“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.