SCHEMBL2116063

SCHEMBL2116063

Cc1cc(=O)c(OCc2ccccc2)c(C(F)F)o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.53
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
MAOB P27338 4/20 0.41
ACHE P22303 2/20 0.41
NPC1 O15118 3/20 0.40
PKM P14618 2/20 0.40
RAB9A P51151 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAOA P21397 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40

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
SCHEMBL6991017 0.85 IDH1 (0.55) IDH1LMNAGAAPOLBSMN1; SMN2
SCHEMBL6998848 0.84 IDH1 (0.54) IDH1LMNAGAAPOLBSMN1; SMN2
SCHEMBL2116142 0.83 IDH1 (0.51) IDH1LMNAGAAPOLBSMN1; SMN2
SCHEMBL6998735 0.83 IDH1 (0.53) IDH1LMNAGAAPOLBSMN1; SMN2
SCHEMBL15910022 0.82 LMNA (0.61) IDH1LMNAGAAPOLBSMN1; SMN2
SCHEMBL6992984 0.82 IDH1 (0.49) IDH1LMNAGAAPOLBSMN1; SMN2
SCHEMBL6996701 0.82 IDH1 (0.49) IDH1LMNAGAAPOLBSMN1; SMN2
SCHEMBL2115663 0.79 LMNA (0.50) IDH1LMNAGAAPOLBSMN1; SMN2
SCHEMBL2115557 0.78 IDH1 (0.50) IDH1LMNAGAAPOLBSMN1; SMN2
SCHEMBL338697 0.78 IDH1 (0.50) IDH1LMNAGAAPOLBSMN1; SMN2

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 IDH1 239/4885LMNA 2643/4885GAA 212/4885
US-20120095061-A1 Fluorinated Derivatives of Deferiprone SLC40A1, TFRC, FECH IDH1 239/4885LMNA 2643/4885GAA 212/4885

“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.