SCHEMBL2117140

SCHEMBL2117140

O=c1cc(C(O)C(F)(F)F)occ1OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 1/20 0.44
LDHA P00338 2/20 0.43
MAOB P27338 1/20 0.40
DAO P14920 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
RXRA P19793 3/20 0.38
RXRB P28702 3/20 0.38
RXRG P48443 3/20 0.38
TBXA2R P21731 1/20 0.38
PTGER1 P34995 1/20 0.38

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
SCHEMBL18894703 0.83 MEN1 (0.47) MEN1KMT2ARAB9ANPC1CYP1A2
SCHEMBL24038839 0.83 NPC1 (0.50) MEN1KMT2ARAB9ANPC1CYP1A2
SCHEMBL2117258 0.82 MEN1 (0.49) MEN1KMT2ARAB9ANPC1CYP1A2
SCHEMBL18894605 0.82 KMT2A (0.46) MEN1KMT2ARAB9ANPC1CYP1A2
Hydrochloric Acid SCHEMBL11094932 0.80 KMT2A (0.44) MEN1KMT2ARAB9ANPC1CYP1A2
SCHEMBL18894584 0.79 MEN1 (0.50) MEN1KMT2ARAB9ANPC1CYP1A2
SCHEMBL9010386 0.76 MEN1 (0.50) MEN1KMT2ARAB9ANPC1CYP1A2
SCHEMBL1037140 0.75 PTGER4 (0.52) MEN1KMT2ARAB9ANPC1CYP1A2
SCHEMBL2115619 0.75 SRD5A1 (0.39) RAB9ANPC1MRGPRX4RXRARXRB
SCHEMBL18894851 0.75 MEN1 (0.43) MEN1KMT2ARAB9ANPC1CYP1A2

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 1425/4885RAB9A 509/4885
US-20120095061-A1 Fluorinated Derivatives of Deferiprone SLC40A1, TFRC, FECH MEN1 1589/4885KMT2A 1425/4885RAB9A 509/4885

“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.