SCHEMBL4255221

SCHEMBL4255221

O=C(O)c1ccc(Oc2ccc(F)cc2F)nc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 1/20 0.58
KDM4E B2RXH2 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 1/20 0.48
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
GCK P35557 2/20 0.43
MAP4K4 O95819 1/20 0.43
MAPK14 Q16539 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL1796821 0.99 HSPB1 (0.56) HSPB1KDM4EL3MBTL1MAPTLMNA
SCHEMBL4260031 0.87 HSPB1 (0.56) HSPB1KDM4EL3MBTL1MAPTMAP4K4
SCHEMBL27297629 0.87 HSPB1 (0.56) HSPB1KDM4EMAPTMAP4K4MAPK14
SCHEMBL1796822 0.86 HSPB1 (0.59) HSPB1KDM4EMAPTLMNAHTT
SCHEMBL4251390 0.86 MRGPRX4 (0.50) HSPB1L3MBTL1MAPTMAPK14
SCHEMBL4252380 0.85 MEN1 (0.59) KDM4EL3MBTL1MAPTMEN1KMT2A
SCHEMBL1797972 0.85 HSPB1 (0.54) HSPB1KDM4EL3MBTL1MAPTLMNA
SCHEMBL4253029 0.85 LMNA (0.49) L3MBTL1MAPTLMNAMAPK1HTT
SCHEMBL23361502 0.82 MAPK14 (0.46) HSPB1KDM4ELMNAMAPK1HTT
SCHEMBL4251245 0.82 MAPT (0.50) HSPB1L3MBTL1MAPT

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-7951826-B2 Obesity; cognition activators; narcolepsy ELI LILLY AND COMPANY (US) 2011-05-31 US disclosed
US-7951826-B2 Obesity; cognition activators; narcolepsy ELI LILLY AND COMPANY (US) 2011-05-31 US disclosed
US-20090239860-A1 NOVEL BENZOFURAN DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USES OF THESE KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-09-24 US disclosed
US-20080207732-A1 Pyrrolidine Derivatives as Histamine H3 Receptor Antagonists ELI LILLY AND COMPANY 2008-08-28 US disclosed
US-20080207732-A1 Pyrrolidine Derivatives as Histamine H3 Receptor Antagonists ELI LILLY AND COMPANY 2008-08-28 US disclosed
EP-1710233-A1 NOVEL BENZOFURAN DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USES OF THESE Kissei Pharmaceutical Co., Ltd. (JP) 2006-10-11 EP 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-20080207732-A1 Pyrrolidine Derivatives as Histamine H3 Receptor Antagonists HRH3, HCRTR1, HRH4 HSPB1 3001/4885KDM4E 331/4885L3MBTL1 1584/4885
US-20090239860-A1 NOVEL BENZOFURAN DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USES OF THESE ADORA2A, ADORA2B, HTR1F HSPB1 2667/4885KDM4E 4227/4885L3MBTL1 682/4885

“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.