SCHEMBL2118544

SCHEMBL2118544

Cn1ccc(=O)c(OCc2ccccc2)c1C(O)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 2/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 2/20 0.47
HPGD P15428 2/20 0.47
NPC1 O15118 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.38
PKM P14618 2/20 0.36
GLRA1 P23415 2/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL6193627 0.82 HTT (0.49) SMN1; SMN2HTTMEN1ALDH1A1KMT2A
SCHEMBL2117763 0.81 MEN1 (0.41) SMN1; SMN2HTTMEN1ALDH1A1KMT2A
SCHEMBL2120152 0.81 SMN1; SMN2 (0.43) SMN1; SMN2HTTMEN1ALDH1A1KMT2A
SCHEMBL6196408 0.78 ALDH1A1 (0.44) SMN1; SMN2HTTMEN1ALDH1A1KMT2A
SCHEMBL29062603 0.77 HTT (0.53) SMN1; SMN2HTTMEN1ALDH1A1KMT2A
SCHEMBL6196253 0.75 MAPT (0.43) SMN1; SMN2HTTMEN1ALDH1A1KMT2A
SCHEMBL2117785 0.75 MEN1 (0.48) SMN1; SMN2HTTMEN1ALDH1A1KMT2A
SCHEMBL10561186 0.74 HTT (0.69) SMN1; SMN2HTTMEN1ALDH1A1KMT2A
SCHEMBL2115531 0.74 SMN1; SMN2 (0.40) SMN1; SMN2HTTMEN1ALDH1A1KMT2A
SCHEMBL2115619 0.73 SRD5A1 (0.39) SMN1; SMN2ALDH1A1HPGDNPC1MAPT

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 SMN1; SMN2 72/4885HTT 140/4885MEN1 1589/4885
US-20120095061-A1 Fluorinated Derivatives of Deferiprone SLC40A1, TFRC, FECH SMN1; SMN2 72/4885HTT 140/4885MEN1 1589/4885

“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.