SCHEMBL13530368

SCHEMBL13530368

COc1ccc(Oc2ncc(F)c(NC(=O)Oc3ccccc3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
HTT P42858 2/20 0.50
GAA P10253 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPK8 P45983 2/20 0.47
MAPK10 P53779 2/20 0.47
USP2 O75604 3/20 0.43
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP2C19 P33261 2/20 0.43
TSHR P16473 1/20 0.43
KIT P10721 1/20 0.42
PDGFRA P16234 1/20 0.42
FAAH O00519 1/20 0.42
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.40
AURKA O14965 2/20 0.40
NPC1 O15118 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
SCHEMBL13530346 0.83 SMN1; SMN2 (0.47) ALDH1A1GAASMN1; SMN2MAPK8MAPK10
SCHEMBL13383564 0.78 NPC1 (0.43) ALDH1A1HTTGAASMN1; SMN2CYP1A2
SCHEMBL3183680 0.76 KMT2A (0.46) ALDH1A1USP2CYP1A2CYP3A4MEN1
SCHEMBL13730059 0.75 SMN1; SMN2 (0.41) HTTSMN1; SMN2MAPK8MAPK10TSHR
SCHEMBL13529468 0.74 AURKA (0.46) ALDH1A1HTTSMN1; SMN2MAPK8MAPK10
SCHEMBL13729358 0.73 SYK (0.45) ALDH1A1HTTSMN1; SMN2MAPK8MAPK10
SCHEMBL13530439 0.72 POLB (0.45) ALDH1A1SMN1; SMN2MAPK8MAPK10MEN1
SCHEMBL14731893 0.72 FAAH (0.43) ALDH1A1CYP1A2CYP3A4MEN1KMT2A
SCHEMBL13530194 0.72 NPC1 (0.60) ALDH1A1USP2CYP1A2CYP3A4CYP2C19
SCHEMBL13750883 0.72 FPR2 (0.38) ALDH1A1MAPK8MAPK10USP2CYP1A2

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 8 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-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-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 ALDH1A1 1302/4885HTT 4162/4885GAA 1638/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 ALDH1A1 1302/4885HTT 4162/4885GAA 1638/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 ALDH1A1 1302/4885HTT 4162/4885GAA 1638/4885

“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.