SCHEMBL2117785

SCHEMBL2117785

Cc1c(OCc2ccccc2)c(=O)cc(C(O)C(F)(F)F)n1C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 2/20 0.46
HPGD P15428 2/20 0.46
NPC1 O15118 3/20 0.43
NPSR1 Q6W5P4 2/20 0.42
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
GLRA1 P23415 2/20 0.38
PKM P14618 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
RAB9A P51151 2/20 0.37
SRD5A1 P18405 1/20 0.36
SRD5A2 P31213 1/20 0.36

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
SCHEMBL2115666 0.86 MEN1 (0.38) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL2118707 0.85 MEN1 (0.40) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL2117763 0.82 MEN1 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL2118749 0.78 MEN1 (0.50) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL2116142 0.77 IDH1 (0.51) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL2115619 0.77 SRD5A1 (0.39) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL2115531 0.75 SMN1; SMN2 (0.40) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL2118544 0.75 SMN1; SMN2 (0.47) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL12249893 0.73 CYP11B2 (0.32)
SCHEMBL2118719 0.72 GLRA1 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2HTT

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 MEN1 1589/4885KMT2A 1425/4885ALDH1A1 631/4885
US-20120095061-A1 Fluorinated Derivatives of Deferiprone SLC40A1, TFRC, FECH MEN1 1589/4885KMT2A 1425/4885ALDH1A1 631/4885

“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.