SCHEMBL5597739

SCHEMBL5597739

Cn1nc(-c2ccc(Oc3ccccc3)cc2)cc1-c1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.46
SCN4A P35499 2/20 0.45
DHODH Q02127 2/20 0.42
STAT3 P40763 2/20 0.41
MGLL Q99685 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
MAPT P10636 2/20 0.39
STIM1 Q13586 1/20 0.39
ORAI1 Q96D31 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL14458205 0.89 MAPT (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5598135 0.87 STAT3 (0.47) STAT3PSEN1PSEN2APH1BNCSTN
SCHEMBL5597719 0.81 ESR2 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8545474 0.79 MAPT (0.52) STAT3MAPTTP53MAPK1L3MBTL1
SCHEMBL17372934 0.79 MAPT (0.53) MAPTSTIM1ORAI1MEN1POLB
SCHEMBL17279861 0.79 KMT2A (0.47) MAPTPOLBKMT2AALDH1A1LMNA
SCHEMBL20239626 0.78 TDP1 (0.48) STAT3MAPTMEN1POLBKMT2A
SCHEMBL15436196 0.76 FYN (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL822565 0.75 ALDH1A1 (0.53) STAT3MAPTPOLBKMT2AALDH1A1
SCHEMBL5597885 0.74 KDM4E (0.42) SCN4ASTAT3MAPTKDM4EALDH1A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1815860-A2 Phosphate transport inhibitors GENZYME CORPORATION (US) 2007-08-08 EP disclosed
EP-1815860-A2 Phosphate transport inhibitors GENZYME CORPORATION (US) 2007-08-08 EP disclosed
US-20070021509-A1 Phosphate transport inhibitors JOZEFIAK THOMAS H 2007-01-25 US disclosed
US-20070021509-A1 Phosphate transport inhibitors JOZEFIAK THOMAS H 2007-01-25 US disclosed
US-20070021509-A1 Phosphate transport inhibitors JOZEFIAK THOMAS H 2007-01-25 US disclosed
US-7119120-B2 Phosphate transport inhibitors GENZYME CORPORATION (US) 2006-10-10 US disclosed
EP-1465638-A2 PHOSPHATE TRANSPORT INHIBITORS GENZYME CORPORATION (US) 2004-10-13 EP disclosed
US-20040019113-A1 Phosphate transport inhibitors GELTEX PHARMACEUTICALS, INC. 2004-01-29 US disclosed
WO-2003057225-A2 PHOSPHATE TRANSPORT INHIBITORS GENZYME CORPORATION (US) 2003-07-17 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 (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-20040019113-A1 Phosphate transport inhibitors SLC34A1, SLC34A2, SLC20A1 BACE1 3598/4885SCN4A 2113/4885DHODH 1289/4885
US-20070021509-A1 Phosphate transport inhibitors SLC34A2, SLC34A1, SLC20A1 BACE1 3751/4885SCN4A 2093/4885DHODH 1233/4885

“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.