SCHEMBL13530216

SCHEMBL13530216

Fc1ccccc1NC(=S)Nc1nc(OCc2ccccc2)ncc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.47
CYP2C19 P33261 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 1/20 0.47
ALDH1A1 P00352 8/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CASP3 P42574 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
KMT2A Q03164 6/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 5/20 0.43
RECQL P46063 1/20 0.43
MAPKAPK2 P49137 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL13529496 0.93 ALDH1A1 (0.47) CYP1A2CYP2C19NPC1RAB9ACYP3A4
SCHEMBL13530483 0.91 ALDH1A1 (0.46) CYP1A2CYP2C19NPC1RAB9ACYP3A4
SCHEMBL13529721 0.90 PPIF (0.46) CYP1A2CYP2C19NPC1RAB9ACYP3A4
SCHEMBL13530335 0.87 RAB9A (0.53) CYP1A2CYP2C19NPC1RAB9ACYP3A4
SCHEMBL13529750 0.86 PPIA (0.52) NPC1RAB9ASMN1; SMN2CASP3TAAR1
SCHEMBL13530485 0.86 SGMS2 (0.39) CYP1A2CYP2C19NPC1RAB9ACYP3A4
SCHEMBL13530476 0.85 HPGD (0.49) NPC1RAB9AALDH1A1SMN1; SMN2CASP3
SCHEMBL13530413 0.84 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2MAPTKDM4EKMT2A
SCHEMBL13530040 0.83 MEN1 (0.46) CYP1A2CYP2C19NPC1RAB9ACYP3A4
SCHEMBL13529700 0.83 HPGD (0.55) NPC1RAB9AALDH1A1SMN1; SMN2CASP3

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 14 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-2562162-B1 N-CYANO-4-AMINO-5-FLUORO-PYRIMIDINE DERIVATIVES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2015-08-19 EP disclosed
EP-2252594-B1 4-AMINO-5-FLUORO-PYRIMIDINE DERIVATIVES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2015-08-19 EP disclosed
EP-2562166-B1 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 CYP1A2 430/4885CYP2C19 963/4885NPC1 2157/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 CYP1A2 430/4885CYP2C19 963/4885NPC1 2157/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 CYP1A2 430/4885CYP2C19 963/4885NPC1 2157/4885

“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.