SCHEMBL13530347

SCHEMBL13530347

Nc1nc(OCc2ccc(OCc3ccc(F)cc3)cc2)ncc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.58
APP P05067 1/20 0.50
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
PARP10 Q53GL7 1/20 0.48
NR4A2 P43354 1/20 0.46
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL29366119 0.94 MAOB (0.47) MAOBAPPALDH1A1CYP1A2CYP3A4
SCHEMBL318524 0.94 MAOB (0.47) MAOBAPPALDH1A1CYP1A2CYP3A4
SCHEMBL13529599 0.90 MAOB (0.51) MAOBALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL15432443 0.90 MAOB (0.45) MAOBAPPCA12CA1CA2
SCHEMBL13530230 0.89 RXRA (0.44) MAOBHDAC1ALDH1A1CYP1A2CYP3A4
SCHEMBL13529978 0.87 SMN1; SMN2 (0.48) MAOBALDH1A1HPGDTSHRNPC1
SCHEMBL13530436 0.86 NPC1 (0.49) MAOBAPPALDH1A1CYP2D6NPC1
SCHEMBL13530214 0.85 PKM (0.49) MAOBAPPNPC1RAB9A
SCHEMBL13529747 0.84 RXRA (0.41) MAOBAPPALDH1A1CYP1A2CYP3A4
SCHEMBL13529497 0.83 RXRA (0.49) MAOB

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 12 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
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 MAOB 1396/4885APP 4696/4885CA12 4707/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 MAOB 1396/4885APP 4696/4885CA12 4707/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 MAOB 1396/4885APP 4696/4885CA12 4707/4885

“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.