SCHEMBL2116333

SCHEMBL2116333

CCc1oc(C(F)F)cc(=O)c1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.44
POLB P06746 1/20 0.41
CREB1 P16220 1/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
MAOB P27338 4/20 0.38
ACHE P22303 2/20 0.38
IDH1 O75874 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
MAOA P21397 2/20 0.38
GLRA1 P23415 1/20 0.38
GSTP1 P09211 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
NPC1 O15118 1/20 0.36
CA12 O43570 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
SCHEMBL2116171 0.81 LMNA (0.43) LMNAGAAPOLBCREB1HPGD
SCHEMBL2116063 0.76 IDH1 (0.53) LMNAGAAPOLBCREB1HPGD
SCHEMBL4318851 0.74 CREB1 (0.42) LMNAGAAPOLBCREB1HPGD
SCHEMBL16921605 0.74 LMNA (0.44) LMNAGAAPOLBCREB1HPGD
SCHEMBL990135 0.73 LMNA (0.68) LMNAGAAPOLBHPGDSMN1; SMN2
SCHEMBL2116203 0.73 SMN1; SMN2 (0.40) LMNAGAAPOLBHPGDSMN1; SMN2
SCHEMBL6997976 0.71 LMNA (0.47) LMNAGAAPOLBCREB1HPGD
SCHEMBL2115557 0.70 IDH1 (0.50) LMNAGAAPOLBCREB1HPGD
SCHEMBL7622128 0.70 LMNA (0.46) LMNAGAAPOLBCREB1HPGD
SCHEMBL2592753 0.70 LMNA (0.49) LMNAGAAPOLBCREB1HPGD

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 LMNA 2643/4885GAA 212/4885POLB 4566/4885
US-20120095061-A1 Fluorinated Derivatives of Deferiprone SLC40A1, TFRC, FECH LMNA 2643/4885GAA 212/4885POLB 4566/4885

“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.