SCHEMBL2115729

SCHEMBL2115729

Cn1ccc(=O)c(OCc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.51
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PKM P14618 1/20 0.44
NPC1 O15118 1/20 0.44
BRD4 O60885 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LIPE Q05469 1/20 0.42
GRM2 Q14416 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
LTA4H P09960 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL29067955 0.82 MAPK14 (0.48) MAPK14HTTSMN1; SMN2MEN1ALDH1A1
SCHEMBL28378443 0.79 MAPK14 (0.42) MAPK14HTTSMN1; SMN2MEN1ALDH1A1
SCHEMBL17128962 0.79 MAPK14 (0.42) MAPK14HTTSMN1; SMN2MEN1ALDH1A1
SCHEMBL9870348 0.78 SGMS2 (0.44) MAPK14HTTSMN1; SMN2MEN1ALDH1A1
SCHEMBL10671051 0.78 MAPK14 (0.47) MAPK14HTTSMN1; SMN2MEN1ALDH1A1
SCHEMBL30982580 0.78 TLR4 (0.45) MAPK14HTTSMN1; SMN2MEN1ALDH1A1
SCHEMBL30982987 0.78 TLR4 (0.45) MAPK14HTTSMN1; SMN2MEN1ALDH1A1
SCHEMBL30982887 0.78 TLR4 (0.45) MAPK14HTTSMN1; SMN2MEN1ALDH1A1
Propionic Acid SCHEMBL28565391 0.76 MAPK14 (0.42) MAPK14HTTSMN1; SMN2MEN1ALDH1A1
SCHEMBL16744408 0.75 MAPT (0.47) MAPK14HTTSMN1; SMN2MEN1ALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119176807-A Alpha-hydroxy ketone nitrogen-containing fused ring compound and application thereof 北京英飞智药科技有限公司 2024-12-24 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-20130252935-A1 Monobactams PFIZER INC. (US) 2013-09-26 US disclosed
US-20120302542-A1 MONOBACTAMS PFIZER INC 2012-11-29 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 (4 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 MAPK14 3642/4885HTT 140/4885SMN1; SMN2 72/4885
US-20130252935-A1 Monobactams MGAM, MGAM2, BPGM MAPK14 3727/4885HTT 4274/4885SMN1; SMN2 4574/4885
US-20120095061-A1 Fluorinated Derivatives of Deferiprone SLC40A1, TFRC, FECH MAPK14 3642/4885HTT 140/4885SMN1; SMN2 72/4885
US-20120302542-A1 MONOBACTAMS MGAM, MGAM2, BPGM MAPK14 3727/4885HTT 4274/4885SMN1; SMN2 4574/4885

“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.