SCHEMBL13530357

SCHEMBL13530357

CCOCCOc1cccc(COc2ncc(F)c(NSc3ccccc3[N+](=O)[O-])n2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39
ALDH1A1 P00352 5/20 0.38
LMNA P02545 3/20 0.38
GAA P10253 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALPG P10696 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PIN1 Q13526 2/20 0.38
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FFAR1 O14842 2/20 0.34
AR P10275 1/20 0.33
SYK P43405 2/20 0.33
TAAR1 Q96RJ0 1/20 0.33

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
SCHEMBL13529416 0.88 PIN1 (0.41) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL17012503 0.85 KDM4E (0.35) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL13529474 0.85 PIN1 (0.43) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL13530246 0.84 PIN1 (0.53) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL13530383 0.83 MEN1 (0.43) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL13529839 0.82 MAPT (0.43) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL13530043 0.81 MEN1 (0.44) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL13530198 0.81 MAPT (0.43) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL13530307 0.81 PIN1 (0.40) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL13530051 0.80 ALDH1A1 (0.45) MAPTMEN1KMT2AALDH1A1LMNA

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 MAPT 3308/4885MEN1 3460/4885KMT2A 3037/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 MAPT 3308/4885MEN1 3460/4885KMT2A 3037/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 MAPT 3308/4885MEN1 3460/4885KMT2A 3037/4885

“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.