SCHEMBL13530307

SCHEMBL13530307

N#Cc1cccc(COc2ncc(F)c(NSc3ccccc3[N+](=O)[O-])n2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.40
SCN9A Q15858 1/20 0.39
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
PDCD1 Q15116 6/20 0.38
CD274 Q9NZQ7 6/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
ALPG P10696 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SGMS2 Q8NHU3 2/20 0.37
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
SYK P43405 1/20 0.36
AR P10275 1/20 0.36

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
SCHEMBL13529474 0.88 PIN1 (0.43) PIN1ALDH1A1LMNAGAAMAPT
SCHEMBL13530246 0.87 PIN1 (0.53) PIN1ALDH1A1LMNAGAAMAPT
SCHEMBL13529839 0.86 MAPT (0.43) PIN1ALDH1A1LMNAGAAMAPT
SCHEMBL13529416 0.85 PIN1 (0.41) PIN1ALDH1A1LMNAGAAMAPT
SCHEMBL13530198 0.85 MAPT (0.43) PIN1ALDH1A1LMNAGAAMAPT
SCHEMBL3185142 0.84 PIN1 (0.46) PIN1ALDH1A1LMNAGAAMAPT
SCHEMBL13529741 0.83 PIN1 (0.44) PIN1ALDH1A1LMNAGAAMAPT
SCHEMBL13529422 0.83 PIN1 (0.46) PIN1ALDH1A1LMNAGAAMAPT
SCHEMBL13530043 0.83 MEN1 (0.44) PIN1ALDH1A1LMNAGAAMAPT
SCHEMBL13529483 0.82 MAPT (0.41) PIN1ALDH1A1LMNAGAAMAPT

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 5 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-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-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

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 PIN1 3086/4885SCN9A 4062/4885ALDH1A1 1302/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 PIN1 3086/4885SCN9A 4062/4885ALDH1A1 1302/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 PIN1 3086/4885SCN9A 4062/4885ALDH1A1 1302/4885

“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.