SCHEMBL2118516

SCHEMBL2118516

Cn1cc(OCc2ccccc2)c(=O)cc1C(F)F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPK14 Q16539 3/20 0.40
BRD4 O60885 4/20 0.40
CHRNA7 P36544 2/20 0.40
PKM P14618 2/20 0.40
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
GSTP1 P09211 1/20 0.39
GRM2 Q14416 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
HRH3 Q9Y5N1 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
SCHEMBL2118755 0.84 MAPK14 (0.42) MAPTMAPK1TDP1L3MBTL1MAPK14
SCHEMBL2115619 0.83 SRD5A1 (0.39) MAPTMAPK14BRD4ALDH1A1HSD17B10
SCHEMBL16744408 0.81 MAPT (0.47) MAPTMAPK1TDP1L3MBTL1MAPK14
SCHEMBL2117146 0.80 HRH3 (0.41) GSTP1HRH3
SCHEMBL2117411 0.79 BRD4 (0.38) MAPTMAPK14BRD4ALDH1A1HSD17B10
SCHEMBL2115648 0.78 MAPK14 (0.42) L3MBTL1MAPK14ALDH1A1GSTP1
SCHEMBL2115801 0.78 SRD5A2 (0.51) BRD4
SCHEMBL13555540 0.78 MAPK14 (0.46) MAPTMAPK1TDP1L3MBTL1MAPK14
SCHEMBL13555553 0.78 BRD4 (0.44) MAPTMAPK1TDP1L3MBTL1BRD4
SCHEMBL9013232 0.78 BRD4 (0.41) MAPTMAPK1TDP1L3MBTL1MAPK14

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 MAPT 199/4885MAPK1 4220/4885TDP1 703/4885
US-20120095061-A1 Fluorinated Derivatives of Deferiprone SLC40A1, TFRC, FECH MAPT 199/4885MAPK1 4220/4885TDP1 703/4885

“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.