SCHEMBL13530682

SCHEMBL13530682

CCCCCNC(=O)Nc1nc(O)ncc1F

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.49
EPHX1 P07099 13/20 0.45
HTT P42858 2/20 0.45
ALDH1A1 P00352 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL13530696 0.91 AURKA (0.45) EPHX2EPHX1ALDH1A1NPC1RAB9A
SCHEMBL12894748 0.77 EPHX2 (0.50) EPHX2EPHX1HTTALDH1A1SMN1; SMN2
SCHEMBL13530055 0.77 EPHX2 (0.42) EPHX2EPHX1HTTALDH1A1NPC1
SCHEMBL13530679 0.73 ROCK2 (0.48) RAB9A
SCHEMBL4358445 0.71 EPHX1 (0.57) EPHX2EPHX1HTTALDH1A1SMN1; SMN2
SCHEMBL13383572 0.70 SMN1; SMN2 (0.43) ALDH1A1RAB9ASMN1; SMN2
SCHEMBL13476071 0.70 SYK (0.47) HTTALDH1A1RAB9ASMN1; SMN2
SCHEMBL1270948 0.70 SMN1; SMN2 (0.50) EPHX2EPHX1HTTALDH1A1NPC1
SCHEMBL12741889 0.69 EPHX2 (0.42) EPHX2EPHX1HTTALDH1A1SMN1; SMN2
SCHEMBL4349349 0.68 EPHX2 (0.62) EPHX2EPHX1HTTALDH1A1SMN1; SMN2

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 6 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 EPHX2 1239/4885EPHX1 937/4885HTT 4162/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 EPHX2 1239/4885EPHX1 937/4885HTT 4162/4885

“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.