SCHEMBL13530301

SCHEMBL13530301

Cc1ccc(OC(=O)Oc2ncc(F)c(/N=C/N(C)C)n2)cc1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.34
KDM4E B2RXH2 3/20 0.34
HPGD P15428 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
CYP1A2 P05177 3/20 0.33
CYP2C19 P33261 3/20 0.33
LMNA P02545 1/20 0.33
LIPE Q05469 1/20 0.32
KMT2A Q03164 4/20 0.32
RAB9A P51151 3/20 0.32
MEN1 O00255 2/20 0.32
NPC1 O15118 2/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 2/20 0.31
RECQL P46063 1/20 0.31
USP2 O75604 1/20 0.30

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
SCHEMBL13530355 0.92 ALDH1A1 (0.35) ALDH1A1KDM4EHPGDSMN1; SMN2CYP1A2
SCHEMBL13530188 0.91 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDSMN1; SMN2CYP1A2
SCHEMBL13529898 0.90 KDM4E (0.40) ALDH1A1KDM4EHPGDSMN1; SMN2LIPE
SCHEMBL13530289 0.86 KMT2A (0.42) ALDH1A1KDM4EHPGDSMN1; SMN2CYP1A2
SCHEMBL13530175 0.83 ALDH1A1 (0.33) ALDH1A1KDM4EHPGDSMN1; SMN2CYP1A2
SCHEMBL3173760 0.83 KDM4E (0.35) ALDH1A1KDM4EHPGDSMN1; SMN2CYP1A2
SCHEMBL17004447 0.81 CYP1A2 (0.36) ALDH1A1KDM4EHPGDSMN1; SMN2CYP1A2
SCHEMBL13530025 0.81 ATM (0.38) ALDH1A1KDM4ECYP1A2CYP2C19LMNA
SCHEMBL13530020 0.80 RAB9A (0.38) ALDH1A1KDM4EHPGDSMN1; SMN2CYP1A2
SCHEMBL13530331 0.79 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDSMN1; SMN2CYP1A2

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
US-9204653-B2 5-fluoro pyrimidine derivatives DOW AGROSCIENCES LLC (US) 2015-12-08 US disclosed
US-9204653-B2 5-fluoro pyrimidine derivatives DOW AGROSCIENCES LLC (US) 2015-12-08 US disclosed
US-9174970-B2 5-fluoro pyrimidine derivatives DOW AGROSCIENCES LLC (US) 2015-11-03 US disclosed
US-9174970-B2 5-fluoro pyrimidine derivatives DOW AGROSCIENCES LLC (US) 2015-11-03 US disclosed
EP-2252594-B1 4-AMINO-5-FLUORO-PYRIMIDINE DERIVATIVES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2015-08-19 EP disclosed
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2014-01-23 US disclosed
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2014-01-23 US disclosed
US-20100022538-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2010-01-28 US disclosed
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2009-08-13 US disclosed
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2009-08-13 US disclosed
WO-2009094442-A2 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2009-07-30 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 (3 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-20100022538-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 ALDH1A1 1302/4885KDM4E 1768/4885HPGD 3992/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 ALDH1A1 1302/4885KDM4E 1768/4885HPGD 3992/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 ALDH1A1 1302/4885KDM4E 1768/4885HPGD 3992/4885

“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.