SCHEMBL13530409

SCHEMBL13530409

Nc1nc(OCc2ccc(Cl)c([N+](=O)[O-])c2)ncc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 3/20 0.48
DHFR P00374 1/20 0.45
RXRA P19793 2/20 0.42
GRIN1 Q05586 2/20 0.42
GRIN2B Q13224 2/20 0.42
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
MGMT P16455 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
VCAM1 P19320 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
SCHEMBL14734492 0.86 PIN1 (0.43) PIN1RXRAGRIN1GRIN2BMGMT
SCHEMBL13530258 0.83 NPC1 (0.50) RXRAGRIN1GRIN2BNPC1RAB9A
SCHEMBL13530231 0.80 RXRA (0.45) RXRAGRIN1GRIN2BNPC1RAB9A
SCHEMBL17011584 0.80 RXRA (0.45) RXRAGRIN1GRIN2BNPC1RAB9A
SCHEMBL13530230 0.77 RXRA (0.44) PIN1RXRAGRIN1GRIN2BMGMT
SCHEMBL13530393 0.76 DHFR (0.43) PIN1DHFRRXRAGRIN1GRIN2B
SCHEMBL13529654 0.76 RXRA (0.45) RXRAGRIN1GRIN2B
SCHEMBL13530100 0.74 DHFR (0.49) PIN1DHFRCYP3A4KDM4E
SCHEMBL13529808 0.74 LOX (0.44) PIN1RXRAGRIN1GRIN2BMGMT
SCHEMBL13530342 0.74 RXRA (0.41) RXRAGRIN1GRIN2BMGMTNPC1

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 3086/4885DHFR 4/4885RXRA 2187/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 PIN1 3086/4885DHFR 4/4885RXRA 2187/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 PIN1 3086/4885DHFR 4/4885RXRA 2187/4885

“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.