SCHEMBL13530335

SCHEMBL13530335

COc1cccc(COc2ncc(F)c(NC(=S)Nc3ccccc3F)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.53
NPC1 O15118 3/20 0.53
CYP1A2 P05177 3/20 0.45
CYP3A4 P08684 3/20 0.45
TSHR P16473 3/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
HPGD P15428 1/20 0.44
LMNA P02545 3/20 0.43
ALDH1A1 P00352 7/20 0.43
MAPT P10636 3/20 0.43
CYP2C9 P11712 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
KMT2A Q03164 4/20 0.42
GAA P10253 2/20 0.42
MEN1 O00255 2/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42
USP2 O75604 1/20 0.41
CASP1 P29466 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
SCHEMBL13530208 0.89 RAB9A (0.59) RAB9ANPC1CYP1A2CYP3A4TSHR
SCHEMBL13529721 0.88 PPIF (0.46) RAB9ANPC1CYP1A2CYP3A4CYP2D6
SCHEMBL13530216 0.87 CYP1A2 (0.47) RAB9ANPC1CYP1A2CYP3A4TSHR
SCHEMBL13530476 0.86 HPGD (0.49) RAB9ANPC1HPGDLMNAALDH1A1
SCHEMBL13529378 0.86 RAB9A (0.46) RAB9ANPC1CYP1A2CYP3A4TSHR
SCHEMBL13530478 0.86 MAOB (0.43) RAB9ANPC1CYP1A2CYP3A4TSHR
SCHEMBL13529476 0.85 GAA (0.42) RAB9ANPC1CYP1A2CYP3A4TSHR
SCHEMBL13530485 0.84 SGMS2 (0.39) RAB9ANPC1CYP1A2CYP3A4CYP2D6
SCHEMBL13530425 0.83 NPC1 (0.47) RAB9ANPC1CYP1A2CYP3A4TSHR
SCHEMBL13530483 0.83 ALDH1A1 (0.46) RAB9ANPC1CYP1A2CYP3A4CYP2D6

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 RAB9A 1663/4885NPC1 2157/4885CYP1A2 430/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 RAB9A 1663/4885NPC1 2157/4885CYP1A2 430/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 RAB9A 1663/4885NPC1 2157/4885CYP1A2 430/4885

“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.