SCHEMBL13530331

SCHEMBL13530331

COc1ccc(C(=O)Oc2ncc(F)c(/N=C/N(C)C)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
HPGD P15428 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 2/20 0.47
KMT2A Q03164 7/20 0.39
MAPT P10636 4/20 0.39
GFER P55789 1/20 0.39
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
LMNA P02545 1/20 0.38
CYP2C9 P11712 1/20 0.38
PRSS1 P07477 1/20 0.37
ACR P10323 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
RBBP9 O75884 1/20 0.35

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
SCHEMBL13530188 0.88 ALDH1A1 (0.43) ALDH1A1HPGDSMN1; SMN2KDM4EKMT2A
SCHEMBL13529288 0.88 ALDH1A1 (0.43) ALDH1A1HPGDSMN1; SMN2KDM4EKMT2A
SCHEMBL13530474 0.88 ESR1 (0.42) ALDH1A1HPGDSMN1; SMN2KDM4EKMT2A
SCHEMBL13765352 0.85 ALDH1A1 (0.33) ALDH1A1HPGDSMN1; SMN2KDM4EKMT2A
SCHEMBL13529617 0.83 ALDH1A1 (0.41) ALDH1A1HPGDSMN1; SMN2KDM4EKMT2A
SCHEMBL13530011 0.81 NPC1 (0.39) ALDH1A1HPGDSMN1; SMN2KMT2AMAPT
SCHEMBL13530175 0.80 ALDH1A1 (0.33) ALDH1A1HPGDSMN1; SMN2KDM4EKMT2A
SCHEMBL13530127 0.80 ALDH1A1 (0.41) ALDH1A1HPGDSMN1; SMN2KDM4EKMT2A
SCHEMBL13530355 0.80 ALDH1A1 (0.35) ALDH1A1HPGDSMN1; SMN2KDM4EKMT2A
SCHEMBL13529386 0.80 ALDH1A1 (0.38) ALDH1A1HPGDSMN1; SMN2KDM4EKMT2A

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 10 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
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 1302/4885HPGD 3992/4885SMN1; SMN2 2803/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 ALDH1A1 1302/4885HPGD 3992/4885SMN1; SMN2 2803/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 ALDH1A1 1302/4885HPGD 3992/4885SMN1; SMN2 2803/4885

“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.