SCHEMBL13530556

SCHEMBL13530556

Cc1ccc(COc2ncc(F)c(NCc3ccc4c(c3)OCO4)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 6/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
ALDH1A1 P00352 5/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPT P10636 3/20 0.48
MAPK1 P28482 2/20 0.48
HTT P42858 2/20 0.48
TSHR P16473 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HPGD P15428 4/20 0.47
KDM4E B2RXH2 2/20 0.47
USP2 O75604 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
THRB P10828 1/20 0.47
ALOX12 P18054 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47

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
SCHEMBL13530585 0.92 MAP2K4 (0.51) PDE5ARAB9AALDH1A1MEN1KMT2A
SCHEMBL13530544 0.90 PDE5A (0.51) PDE5AALDH1A1MEN1KMT2AMAPT
SCHEMBL13530419 0.84 KDM4E (0.42) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL13530644 0.84 PDE5A (0.43) PDE5AALDH1A1MEN1KMT2AMAPT
SCHEMBL13530666 0.83 PDE5A (0.47) PDE5AALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL13530561 0.83 MEN1 (0.47) PDE5ANPC1RAB9AALDH1A1MEN1
SCHEMBL13530507 0.83 ALDH1A1 (0.46) PDE5AALDH1A1MEN1KMT2AMAPT
SCHEMBL13530671 0.81 AURKA (0.43) RAB9AALDH1A1MAPTMAPK1TSHR
SCHEMBL13530541 0.81 ALDH1A1 (0.51) PDE5ANPC1RAB9AALDH1A1MEN1
SCHEMBL13530614 0.81 MAOA (0.49) PDE5AALDH1A1MEN1KMT2AMAPT

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 10 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
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 PDE5A 1262/4885NPC1 2157/4885RAB9A 1663/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 PDE5A 1262/4885NPC1 2157/4885RAB9A 1663/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 PDE5A 1262/4885NPC1 2157/4885RAB9A 1663/4885

“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.