SCHEMBL2115666

SCHEMBL2115666

Cn1c(C(O)C(F)(F)F)cc(=O)c(OCc2ccccc2)c1CO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
SRD5A2 P31213 2/20 0.37
SRD5A1 P18405 1/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
GLRA1 P23415 2/20 0.36
GSTP1 P09211 1/20 0.36
PKM P14618 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
NPC1 O15118 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34

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
SCHEMBL2118707 0.90 MEN1 (0.40) MEN1ALDH1A1KMT2ASRD5A2SRD5A1
SCHEMBL2117785 0.86 MEN1 (0.48) MEN1ALDH1A1KMT2ASRD5A2SRD5A1
SCHEMBL2117359 0.86 HPGD (0.40) MEN1ALDH1A1KMT2ASRD5A2SRD5A1
SCHEMBL2115721 0.81 MEN1 (0.39) MEN1ALDH1A1KMT2ASRD5A2SRD5A1
SCHEMBL15486359 0.79 MEN1 (0.45) MEN1ALDH1A1KMT2ASRD5A2SRD5A1
SCHEMBL2117763 0.78 MEN1 (0.41) MEN1ALDH1A1KMT2ASRD5A2HPGD
SCHEMBL2115619 0.75 SRD5A1 (0.39) ALDH1A1SRD5A2SRD5A1HPGDSMN1; SMN2
SCHEMBL2116203 0.75 SMN1; SMN2 (0.40) MEN1ALDH1A1KMT2ASRD5A2SRD5A1
SCHEMBL2116142 0.73 IDH1 (0.51) MEN1ALDH1A1KMT2AHPGDSMN1; SMN2
SCHEMBL2118544 0.73 SMN1; SMN2 (0.47) MEN1ALDH1A1KMT2AHPGDSMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114230590-A Boron trifluoride salt electrolyte containing unsaturated heterocycle and preparation and application thereof 北京卫蓝新能源科技有限公司 2022-03-25 CN disclosed
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 1589/4885ALDH1A1 631/4885KMT2A 1425/4885
US-20120095061-A1 Fluorinated Derivatives of Deferiprone SLC40A1, TFRC, FECH MEN1 1589/4885ALDH1A1 631/4885KMT2A 1425/4885

“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.