SCHEMBL13530258

SCHEMBL13530258

Nc1nc(OCc2ccc(Cl)c(Cl)c2)ncc1F

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.50
RAB9A P51151 2/20 0.50
MAPT P10636 1/20 0.50
RXRA P19793 3/20 0.47
GRIN1 Q05586 3/20 0.47
GRIN2B Q13224 3/20 0.47
IDO1 P14902 3/20 0.45
CYP2D6 P10635 3/20 0.44
CYP2C19 P33261 2/20 0.43
ALDH1A1 P00352 1/20 0.43
PNMT P11086 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
FFAR1 O14842 1/20 0.38

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
SCHEMBL13530231 0.92 RXRA (0.45) NPC1RAB9AMAPTRXRAGRIN1
SCHEMBL17011584 0.88 RXRA (0.45) NPC1RAB9AMAPTRXRAGRIN1
SCHEMBL13530230 0.85 RXRA (0.44) RXRAGRIN1GRIN2BCYP2D6CYP2C19
SCHEMBL13529654 0.84 RXRA (0.45) RXRAGRIN1GRIN2B
SCHEMBL13530393 0.84 DHFR (0.43) RXRAGRIN1GRIN2BIDO1ALDH1A1
SCHEMBL13530269 0.83 RXRA (0.43) NPC1RAB9AMAPTRXRAGRIN1
SCHEMBL13530409 0.83 PIN1 (0.48) NPC1RAB9AMAPTRXRAGRIN1
SCHEMBL13530100 0.82 DHFR (0.49) IDO1CYP3A4
SCHEMBL13529808 0.82 LOX (0.44) NPC1RAB9AMAPTRXRAGRIN1
SCHEMBL13530342 0.82 RXRA (0.41) NPC1RAB9AMAPTRXRAGRIN1

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-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

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 NPC1 2157/4885RAB9A 1663/4885MAPT 3308/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 NPC1 2157/4885RAB9A 1663/4885MAPT 3308/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 NPC1 2157/4885RAB9A 1663/4885MAPT 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.