SCHEMBL7698241

SCHEMBL7698241

CCOC(=O)c1cc(C(=O)OCC)n(C)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.61
RAB9A P51151 4/20 0.60
NPC1 O15118 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
MAPT P10636 1/20 0.60
KDM4E B2RXH2 3/20 0.57
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
ATM Q13315 1/20 0.47
CYP1A2 P05177 1/20 0.47
GAA P10253 1/20 0.44
FAAH O00519 2/20 0.44
JMJD6 Q6NYC1 1/20 0.43
MMP2 P08253 1/20 0.43
MMP13 P45452 1/20 0.43
MMP14 P50281 1/20 0.43
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
MPO P05164 1/20 0.42

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
SCHEMBL7703521 0.90 LMNA (0.52) LMNARAB9ANPC1SMN1; SMN2MAPT
SCHEMBL13279000 0.90 LMNA (0.59) LMNARAB9ANPC1SMN1; SMN2MAPT
SCHEMBL4759497 0.90 LMNA (0.59) LMNARAB9ANPC1SMN1; SMN2MAPT
SCHEMBL1313891 0.90 LMNA (0.52) LMNARAB9ANPC1SMN1; SMN2MAPT
SCHEMBL24914925 0.89 LMNA (0.54) LMNARAB9ANPC1SMN1; SMN2MAPT
SCHEMBL24914933 0.89 LMNA (0.51) LMNARAB9ANPC1SMN1; SMN2MAPT
SCHEMBL27166556 0.88 LMNA (0.51) LMNARAB9ANPC1SMN1; SMN2MAPT
SCHEMBL1312216 0.87 LMNA (0.50) LMNARAB9ANPC1SMN1; SMN2MAPT
SCHEMBL8003314 0.85 LMNA (0.47) LMNARAB9ANPC1SMN1; SMN2MAPT
SCHEMBL1894879 0.84 LMNA (0.52) LMNARAB9ANPC1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-05-11 US disclosed
US-20160159805-A1 Heterocyclic sulfonylamino(thio)carbonyl-derivatives with nematicidal properties BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-09 US disclosed
US-20160159805-A1 Heterocyclic sulfonylamino(thio)carbonyl-derivatives with nematicidal properties BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-09 US disclosed
US-8778577-B2 Colored composition, colored cured film, color filter, method for producing color filter, liquid crystal display device, solid-state imaging device, and novel dipyrromethene metal complex compound or tautomer thereof FUJIFILM CORPORATION (JP) 2014-07-15 US disclosed
US-20140038092-A1 COLORED COMPOSITION, COLORED CURED FILM, COLOR FILTER, METHOD FOR PRODUCING COLOR FILTER, LIQUID CRYSTAL DISPLAY DEVICE, SOLID-STATE IMAGING DEVICE, AND NOVEL DIPYRROMETHENE METAL COMPLEX COMPOUND OR TAUTOMER THEREOF FUJIFILM CORPORATION (JP) 2014-02-06 US disclosed
US-7659289-B2 Hydroxyethylene-based β-secretase inhibitors and use thereof COMENTIS, INC. (US) 2010-02-09 US disclosed
US-20080207527-A1 Bicyclic Compounds Which Inhibit Beta-Secretase Activity and Methods of Use Thereof COMENTIS, INC. (US) 2008-08-28 US disclosed
US-20080125467-A1 Amino-Containing Compounds Which Inhibit Memapsin 2 Beta-Secretase Activity and Methods of Use Thereof COMENTIS, INC. 2008-05-29 US disclosed
US-7335632-B2 Beta-secretase inhibitors and methods of use thereof COMENTIS, INC. (US) 2008-02-26 US disclosed
US-7335632-B2 Beta-secretase inhibitors and methods of use thereof COMENTIS, INC. (US) 2008-02-26 US disclosed
WO-2006034296-A2 AMINO-CONTAINING COMPOUNDS WHICH INHIBIT MEMAPSIN 2 BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2006-03-30 WO disclosed
WO-2006034277-A1 BICYCLIC COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2006-03-30 WO disclosed
EP-0901488-B1 2,4-DIAMINOPYRIMIDINE DERIVATIVES BASILEA PHARMACEUTICA AG (CH) 2002-11-06 EP disclosed
EP-0901488-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-03-17 EP disclosed
US-5866583-A Substituted 2,4-diaminopyrimidines HOFFMANN-LA ROCHE INC. (US) 1999-02-02 US disclosed
WO-1997043277-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-11-20 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 (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-20080125467-A1 Amino-Containing Compounds Which Inhibit Memapsin 2 Beta-Secretase Activity and Methods of Use Thereof BACE2, BACE1, PSEN2 LMNA 862/4885RAB9A 2560/4885NPC1 1137/4885
US-20160159805-A1 Heterocyclic sulfonylamino(thio)carbonyl-derivatives with nematicidal properties TST, TUBB, TUBA3C LMNA 3434/4885RAB9A 1352/4885NPC1 1872/4885
US-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF ADORA2A, ADORA2B, ADORA3 LMNA 3817/4885RAB9A 2881/4885NPC1 2908/4885
US-20080207527-A1 Bicyclic Compounds Which Inhibit Beta-Secretase Activity and Methods of Use Thereof BACE1, BACE2, PSEN1 LMNA 518/4885RAB9A 2377/4885NPC1 201/4885

“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.