SCHEMBL2115531

SCHEMBL2115531

Cc1c(OCc2ccccc2)c(=O)c(C(O)C(F)(F)F)cn1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
KMT2A Q03164 3/20 0.40
HTT P42858 2/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
NPC1 O15118 2/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
GLRA1 P23415 2/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PKM P14618 3/20 0.34
PTPN1 P18031 1/20 0.34
HPD P32754 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL2117394 0.78 POLB (0.49) SMN1; SMN2KMT2AHTTMEN1ALDH1A1
SCHEMBL2116005 0.77 SMN1; SMN2 (0.42) SMN1; SMN2KMT2AHTTMEN1ALDH1A1
SCHEMBL2117785 0.75 MEN1 (0.48) SMN1; SMN2KMT2AHTTMEN1ALDH1A1
SCHEMBL2118544 0.74 SMN1; SMN2 (0.47) SMN1; SMN2KMT2AHTTMEN1ALDH1A1
SCHEMBL18107014 0.73 POLB (0.44) SMN1; SMN2KMT2AHTTMEN1ALDH1A1
SCHEMBL5004291 0.72 PTGS2 (0.32)
SCHEMBL2117763 0.72 MEN1 (0.41) SMN1; SMN2KMT2AHTTMEN1ALDH1A1
SCHEMBL18107018 0.72 POLB (0.63) SMN1; SMN2KMT2AHTTMEN1ALDH1A1
SCHEMBL2115619 0.71 SRD5A1 (0.39) SMN1; SMN2ALDH1A1HPGDNPC1MAPT
SCHEMBL2115938 0.71 KDM4E (0.36) HTTALDH1A1HPGDGAA

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 5 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
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 72/4885KMT2A 1425/4885HTT 140/4885
US-20120095061-A1 Fluorinated Derivatives of Deferiprone SLC40A1, TFRC, FECH SMN1; SMN2 72/4885KMT2A 1425/4885HTT 140/4885

“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.