SCHEMBL1223628

SCHEMBL1223628

Nc1nc(=O)n(C(=O)OCc2ccccc2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
MAOB P27338 1/20 0.41
ADORA2A P29274 1/20 0.41
CTRB1 P17538 1/20 0.40
P2RX4 Q99571 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
P2RX1 P51575 1/20 0.39
P2RX3 P56373 1/20 0.39
DHFR P00374 1/20 0.39
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MAPK1 P28482 3/20 0.38
GABRA5 P31644 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38

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
SCHEMBL12883791 0.89 EP300 (0.37) KDM4EMAPTMAOBADORA2AKMT2A
SCHEMBL8541156 0.82 PTGDR2 (0.40) KDM4EMAPTMAOBADORA2ACTRB1
SCHEMBL1224879 0.81 EP300 (0.46) KDM4EADORA2AKMT2AMEN1ALDH1A1
SCHEMBL2152951 0.79 CTRB1 (0.44) KDM4EMAPTMAOBADORA2ACTRB1
SCHEMBL7122663 0.76 ALDH1A1 (0.35) SMN1; SMN2NPSR1ALDH1A1RAB9AMAPK1
SCHEMBL12883810 0.76 CTRB1 (0.37) MAPTCTRB1P2RX4SMN1; SMN2CYP2C19
SCHEMBL5858112 0.75 SMN1; SMN2 (0.43) KDM4EMAPTMAOBADORA2ACTRB1
SCHEMBL1225948 0.74 EP300 (0.41) MAOBADORA2ASMN1; SMN2KMT2AALDH1A1
SCHEMBL7064563 0.73 EP300 (0.41) KDM4EMAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL12883783 0.72 ALOX15 (0.35) KDM4EMAPTSMN1; SMN2KMT2AMEN1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2462133-B1 5-FLUORO-2-OXOPYRIMIDINE- 1(2H)-CARBOXYLATE DERIVATIVES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2014-09-24 EP disclosed
EP-2462133-B1 5-FLUORO-2-OXOPYRIMIDINE- 1(2H)-CARBOXYLATE DERIVATIVES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2014-09-24 EP disclosed
US-8318758-B2 5-fluoro-2-oxopyrimidine-1(2H)-carboxylate derivatives DOW AGROSCIENCES, LLC (US) 2012-11-27 US disclosed
US-8318758-B2 5-fluoro-2-oxopyrimidine-1(2H)-carboxylate derivatives DOW AGROSCIENCES, LLC (US) 2012-11-27 US disclosed
US-8318758-B2 5-fluoro-2-oxopyrimidine-1(2H)-carboxylate derivatives DOW AGROSCIENCES, LLC (US) 2012-11-27 US disclosed
EP-2462133-A1 5-FLUORO-2-OXOPYRIMIDINE- 1(2H)-CARBOXYLATE DERIVATIVES Dow AgroSciences LLC (US) 2012-06-13 EP disclosed
WO-2011017544-A1 5-FLUORO-2-OXOPYRIMIDINE- 1(2H)-CARBOXYLATE DERIVATIVES DOW AGROSCIENCES LLC (US) 2011-02-10 WO disclosed
WO-2011017544-A1 5-FLUORO-2-OXOPYRIMIDINE- 1(2H)-CARBOXYLATE DERIVATIVES DOW AGROSCIENCES LLC (US) 2011-02-10 WO disclosed
US-20110034491-A1 5-FLUORO-2-OXOPYRIMIDINE- 1(2H)-CARBOXYLATE DERIVATIVES ADAMA MAKHTESHIM LTD. (IL) 2011-02-10 US disclosed
US-20110034491-A1 5-FLUORO-2-OXOPYRIMIDINE- 1(2H)-CARBOXYLATE DERIVATIVES ADAMA MAKHTESHIM LTD. (IL) 2011-02-10 US disclosed
US-20110034491-A1 5-FLUORO-2-OXOPYRIMIDINE- 1(2H)-CARBOXYLATE DERIVATIVES ADAMA MAKHTESHIM LTD. (IL) 2011-02-10 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 (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-20110034491-A1 5-FLUORO-2-OXOPYRIMIDINE- 1(2H)-CARBOXYLATE DERIVATIVES DDT, PFAS, CASP2 KDM4E 689/4885MAPT 3688/4885MAOB 1295/4885

“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.