SCHEMBL13530500

SCHEMBL13530500

COc1ccccc1COc1ncc(F)c(NC(=S)NCc2ccccc2F)n1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.47
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
QPCT Q16769 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 3/20 0.42
MEN1 O00255 3/20 0.42
PKM P14618 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41

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
SCHEMBL13530112 0.88 ALDH1A1 (0.41) KMT2AALDH1A1MAPTQPCTSMN1; SMN2
SCHEMBL13529782 0.88 KMT2A (0.53) KMT2AALDH1A1MAPTTDP1POLB
SCHEMBL13529404 0.88 KMT2A (0.43) KMT2AALDH1A1MAPTQPCTSMN1; SMN2
SCHEMBL13529700 0.87 HPGD (0.55) KMT2AALDH1A1MAPTSMN1; SMN2TDP1
SCHEMBL13530250 0.86 KMT2A (0.45) KMT2AALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL13530040 0.85 MEN1 (0.46) KMT2AALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL13530567 0.84 L3MBTL1 (0.49) KMT2AALDH1A1MAPTSMN1; SMN2TDP1
SCHEMBL13530374 0.84 KMT2A (0.43) KMT2AALDH1A1MAPTSMN1; SMN2TDP1
SCHEMBL13529378 0.84 RAB9A (0.46) KMT2AALDH1A1MAPTQPCTSMN1; SMN2
SCHEMBL13530283 0.82 MEN1 (0.40) KMT2AMAPTSMN1; SMN2POLBLMNA

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 KMT2A 3037/4885ALDH1A1 1302/4885MAPT 3308/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 KMT2A 3037/4885ALDH1A1 1302/4885MAPT 3308/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 KMT2A 3037/4885ALDH1A1 1302/4885MAPT 3308/4885

“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.