SCHEMBL3499314

SCHEMBL3499314

CN(C)c1ccc(-c2cc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nn2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.37
PAX8 Q06710 1/20 0.35
MMP1 P03956 1/20 0.34
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
NR1H2 P55055 5/20 0.33
GPR119 Q8TDV5 2/20 0.32
AAK1 Q2M2I8 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
CFTR P13569 1/20 0.32
TGFBR1 P36897 1/20 0.32
NR1H3 Q13133 1/20 0.31
USP30 Q70CQ3 1/20 0.31
BRD4 O60885 1/20 0.31

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
SCHEMBL3501462 0.87 NR1H2 (0.36) NR1H2GPR119AAK1CFTRNR1H3
SCHEMBL3501150 0.83 ALDH1A1 (0.43) PTGS1PTGS2
SCHEMBL13312322 0.82 TUBB4A (0.41) MMP13MMP1KDM5AKDM4CKDM5B
SCHEMBL4553673 0.78 AAK1 (0.33) NR1H2AAK1PTGS2
SCHEMBL3501728 0.76 FAAH (0.35)
SCHEMBL3499236 0.74 ALDH1A1 (0.38) PTGS1PTGS2
SCHEMBL3499060 0.71 TUBB4A (0.36) MMP13KDM4CKDM5BNR1H2GPR119
SCHEMBL21247712 0.69 PTGS2 (0.31) PTGS2
SCHEMBL28485002 0.69 TUBB4A (0.44) KDM4CKDM5BNR1H2NR1H3
SCHEMBL3499073 0.68 POLB (0.33)

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
US-20100144793-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC IMMUNE SA (CH) 2010-06-10 US disclosed
US-20100144793-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC IMMUNE SA (CH) 2010-06-10 US disclosed
US-20100144793-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC IMMUNE SA (CH) 2010-06-10 US disclosed
EP-2121619-A2 COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC Immune S.A. (CH) 2009-11-25 EP disclosed
WO-2008061796-A2 COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC IMMUNE SA (CH) 2008-05-29 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 (1 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-20100144793-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS APP, BACE1, APBA1 MMP13 3108/4885PAX8 3225/4885MMP1 4018/4885

“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.