SCHEMBL2116005

SCHEMBL2116005

Cc1c(OCc2ccccc2)c(=O)c(CC(F)(F)F)cn1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HTT P42858 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
NPC1 O15118 3/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PKM P14618 3/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
RAB9A P51151 2/20 0.35
MAPK14 Q16539 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL2115531 0.77 SMN1; SMN2 (0.40) SMN1; SMN2MEN1KMT2AHTTALDH1A1
SCHEMBL2118165 0.76 POLB (0.52) SMN1; SMN2MEN1KMT2AHTTALDH1A1
SCHEMBL2118749 0.72 MEN1 (0.50) SMN1; SMN2MEN1KMT2AHTTALDH1A1
SCHEMBL4470489 0.72 PTGER4 (0.53) SMN1; SMN2POLBLMNAGAAL3MBTL1
SCHEMBL10561186 0.70 HTT (0.69) SMN1; SMN2MEN1KMT2AHTTALDH1A1
SCHEMBL2117739 0.69 KDM4E (0.37) HTTALDH1A1HPGDGAA
SCHEMBL4471963 0.68 PTGER4 (0.38) SMN1; SMN2MEN1KMT2AHTTALDH1A1
SCHEMBL13386382 0.67 MAPK14 (0.48) SMN1; SMN2MEN1KMT2AHTTALDH1A1
SCHEMBL12949761 0.67 MEN1 (0.71) SMN1; SMN2MEN1KMT2AHTTALDH1A1
SCHEMBL13555549 0.66 SMN1; SMN2 (0.41) SMN1; SMN2MEN1KMT2AHTTALDH1A1

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 5 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
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 SMN1; SMN2 72/4885MEN1 1589/4885KMT2A 1425/4885
US-20120095061-A1 Fluorinated Derivatives of Deferiprone SLC40A1, TFRC, FECH SMN1; SMN2 72/4885MEN1 1589/4885KMT2A 1425/4885

“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.