SCHEMBL2115663

SCHEMBL2115663

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
GAA P10253 1/20 0.50
IDH1 O75874 1/20 0.48
POLB P06746 1/20 0.47
MAOB P27338 5/20 0.44
NPC1 O15118 3/20 0.44
MAOA P21397 2/20 0.44
PKM P14618 2/20 0.44
RAB9A P51151 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTT P42858 2/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL8145094 0.90 IDH1 (0.44) LMNAGAAIDH1POLBMAOB
SCHEMBL15910027 0.85 LMNA (0.50) LMNAGAAIDH1POLBMAOB
SCHEMBL16921607 0.85 LMNA (0.44) LMNAGAAPOLBMAOBNPC1
SCHEMBL15910022 0.84 LMNA (0.61) LMNAGAAIDH1POLBMAOB
SCHEMBL10290054 0.82 LMNA (0.41) LMNAGAAPOLBMAOBNPC1
SCHEMBL20218243 0.82 TEAD4 (0.42) LMNAGAAIDH1POLBMAOB
SCHEMBL2592753 0.79 LMNA (0.49) LMNAGAAIDH1POLBMAOB
SCHEMBL2115557 0.79 IDH1 (0.50) LMNAGAAIDH1POLBMAOB
SCHEMBL2116063 0.79 IDH1 (0.53) LMNAGAAIDH1POLBMAOB
SCHEMBL338697 0.79 IDH1 (0.50) LMNAGAAIDH1POLBMAOB

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
EP-2134688-B1 FLUORINATED DERIVATIVES OF DEFERIPRONE APOTEX TECHNOLOGIES INC (CA) 2016-10-05 EP disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US 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-20100098640-A1 Multidentate Pyrone-Derived Chelators for Medicinal Imaging and Chelation REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE 2010-04-22 US disclosed
US-6506911-B2 Reacting a 2-(1-hydroxyalkyl)-3-hydroxypyran-4(1H)one compound with benzaldehyde dimethyl acetal to form 8-oxo-4,8-dihydro-2-phenyl-4h(3,2-d)-m-dioxin, reacting it with an amine compound to form an intermediate, then reducing BTG INTERNATIONAL LIMITED (GB) 2003-01-14 US disclosed
EP-0984934-B1 NOVEL ORALLY ACTIVE IRON (III) CHELATORS BTG INTERNAT LTD COMPANY NO 26 (GB) 2003-01-08 EP disclosed
US-6476229-B1 Processes for the manufacturing of 3-hydroxy-N,1,6-trialkyl-4-oxo-1,4-dihydropyridine-2-carboxamide APOTEX, INC. (CA) 2002-11-05 US disclosed
US-6472532-B1 INEXPENSIVE METHOD USING KOJIC ACID AS SAFE STARTING MATERIAL FOR SYNTHESIS OF ORALLY ACTIVE IRON CHELATORS APOTEX, INC. (CA) 2002-10-29 US disclosed
US-6448273-B1 SUCH AS 2,6-DIMETHOXYMETHYL-1-METHYL-3-BENZYLOXPYRIDIN-4(1H)-ONE; TREATING DISORDERS ASSOCIATED WITH IRON DISTRIBUTION AND IRON DEPENDANT PARASITES; REDUCED LEVELS OF ACTIVE AGENT; SELECTIVE TARGETING TO TISSUES AND LIVER; METABOLIC STABILITY BTG INTERNATIONAL LIMITED (GB) 2002-09-10 US disclosed
US-6426418-B1 REACTING A 3-OXY-2-HYDROXYALKYL-4H-PYRAN-4-ONE DERIVATIVE WITH SODIUM HYPOCHLORITE SOLUTION, POTASSIUM BROMIDE, TEMPO, AND A PHASE TRANSFER CATALYST TO PRODUCE A 3-OXY-2-CARBOXY-4H-PYRAN-4-ONE DERIVATIVE APOTEX, INC. (CA) 2002-07-30 US disclosed
US-20020068758-A1 Novel orally active iron (III) chelators BTG INTERNATIONAL LIMITED. 2002-06-06 US disclosed
US-6335353-B1 3-HYDROXYPYRIDIN-4-ONE DERIVATIVE; IRON DEFICIENCY ANEMIA AND THALASSEMIA TREATMENT BTG INTERNATIONAL LIMITED (GB) 2002-01-01 US disclosed
EP-0984934-A1 NOVEL ORALLY ACTIVE IRON (III) CHELATORS BTG INTERNATIONAL LIMITED (Company No. 2664412) (GB) 2000-03-15 EP disclosed
WO-1998054138-A1 NOVEL ORALLY ACTIVE IRON (III) CHELATORS BTG INTERNATIONAL LIMITED (GB) 1998-12-03 WO 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 (5 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-20020068758-A1 Novel orally active iron (III) chelators HAMP, HRH2, GRHPR LMNA 2634/4885GAA 1367/4885IDH1 808/4885
US-20120095061-A1 Fluorinated Derivatives of Deferiprone SLC40A1, TFRC, FECH LMNA 2643/4885GAA 212/4885IDH1 239/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI LMNA 2945/4885GAA 1442/4885IDH1 147/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI LMNA 2945/4885GAA 1442/4885IDH1 147/4885
US-20100098640-A1 Multidentate Pyrone-Derived Chelators for Medicinal Imaging and Chelation DNM1, BET1, FOLH1 LMNA 2576/4885GAA 594/4885IDH1 134/4885

“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.