SCHEMBL2118755

SCHEMBL2118755

CCn1cc(OCc2ccccc2)c(=O)cc1C(F)F

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.42
HTT P42858 2/20 0.39
MAPK1 P28482 2/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BRD4 O60885 1/20 0.38
LMNA P02545 1/20 0.38
GSTP1 P09211 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GRM2 Q14416 1/20 0.37

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
SCHEMBL2118516 0.84 MAPT (0.41) MAPK14MAPK1MAPTTDP1L3MBTL1
SCHEMBL2115648 0.84 MAPK14 (0.42) MAPK14L3MBTL1ALDH1A1HPGDGSTP1
SCHEMBL2116191 0.83 CNR2 (0.41) MAPK14MAPTALDH1A1HSD17B10GRM2
SCHEMBL28501968 0.79 COMT (0.45) MAPK14HTTMAPK1MAPTTDP1
SCHEMBL2117146 0.78 HRH3 (0.41) GSTP1
SCHEMBL15948966 0.78 MAPK14 (0.43) MAPK14HTTMAPK1MAPTTDP1
SCHEMBL12949645 0.75 MAPK14 (0.43) MAPK14HTTMAPK1MAPTTDP1
SCHEMBL17128903 0.74 MAPK14 (0.44) MAPK14HTTMAPK1MAPTTDP1
SCHEMBL2115619 0.73 SRD5A1 (0.39) MAPK14MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL12949558 0.73 MRGPRX4 (0.41) MEN1KMT2ABRD4NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2134688-B1 FLUORINATED DERIVATIVES OF DEFERIPRONE APOTEX TECHNOLOGIES INC (CA) 2016-10-05 EP disclosed
US-8673943-B2 Fluorinated derivatives of deferiprone APOTEX TECHNOLOGIES INC. (CA) 2014-03-18 US disclosed
US-20120095061-A1 Fluorinated Derivatives of Deferiprone APOTEX TECHNOLOGIES INC. (CA) 2012-04-19 US disclosed
US-8026261-B2 neurodegenerative diseases; to remove free iron or iron accumulation in neural tissues; iron chelators; improved chemical stability, penetration through blood brain barrier; reacting 3-hydroxy-4-pyridinone/3-hydroxy-4-pyranone derivatives; 1-cyclopropyl-2-difluoromethyl-5-hydroxy-1H-pyridin-4-one APOTEX TECHNOLOGIES INC. (CA) 2011-09-27 US disclosed
EP-2134688-A1 FLUORINATED DERIVATIVES OF DEFERIPRONE Apotex Technologies Inc. (CA) 2009-12-23 EP disclosed
WO-2008116301-A1 FLUORINATED DERIVATIVES OF DEFERIPRONE APOTEX TECHNOLOGIES INC. (CA) 2008-10-02 WO disclosed
US-20080242706-A1 Fluorinated derivatives of deferiprone APOTEX TECHNOLOGIES INC. 2008-10-02 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 (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-20080242706-A1 Fluorinated derivatives of deferiprone SLC40A1, TFRC, FECH MAPK14 3642/4885HTT 140/4885MAPK1 4220/4885
US-20120095061-A1 Fluorinated Derivatives of Deferiprone SLC40A1, TFRC, FECH MAPK14 3642/4885HTT 140/4885MAPK1 4220/4885

“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.