SCHEMBL2339998

SCHEMBL2339998

O=C([C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)C=Cc1ccc(C(F)(F)F)nc1)N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
GAA P10253 1/20 0.44
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTR2B P41595 1/20 0.40
MAPK14 Q16539 1/20 0.40
LIPE Q05469 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
P2RX7 Q99572 1/20 0.39

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
SCHEMBL2340003 1.00 LMNA (0.44) LMNAGAAGRIN2DGRIN3BGRIN1
SCHEMBL2339997 1.00 LMNA (0.44) LMNAGAAGRIN2DGRIN3BGRIN1
SCHEMBL2375925 0.92 P2RX7 (0.40) LMNAGAAGRIN2DGRIN3BGRIN1
SCHEMBL2375926 0.92 P2RX7 (0.40) LMNAGAAGRIN2DGRIN3BGRIN1
SCHEMBL2375922 0.92 P2RX7 (0.40) LMNAGAAGRIN2DGRIN3BGRIN1
SCHEMBL2338353 0.89 LMNA (0.50) LMNAGAAGRIN2DGRIN3BGRIN1
SCHEMBL2338350 0.89 LMNA (0.50) LMNAGAAGRIN2DGRIN3BGRIN1
SCHEMBL2338355 0.89 LMNA (0.50) LMNAGAAGRIN2DGRIN3BGRIN1
SCHEMBL2373456 0.89 LMNA (0.37) LMNAGAAGRIN2DGRIN3BGRIN1
SCHEMBL2373450 0.89 LMNA (0.37) LMNAGAAGRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-15 US claimed
EP-2358673-A1 NOVEL BIS-AMIDES AS ANTIMALARIAL AGENTS Actelion Pharmaceuticals Ltd. (CH) 2011-08-24 EP claimed
WO-2010058353-A1 NOVEL BIS-AMIDES AS ANTIMALARIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2010-05-27 WO claimed
US-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-15 US disclosed
EP-2358673-A1 NOVEL BIS-AMIDES AS ANTIMALARIAL AGENTS Actelion Pharmaceuticals Ltd. (CH) 2011-08-24 EP disclosed
WO-2010058353-A1 NOVEL BIS-AMIDES AS ANTIMALARIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2010-05-27 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-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS CTSA, BECN1, HDAC6 LMNA 1347/4885GAA 625/4885GRIN2D 3539/4885

“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.