SCHEMBL2312607

SCHEMBL2312607

O=C(NCC(=O)N1CCN(c2ccc(O)cc2)CC1)c1ccnc(F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 6/20 0.61
▸ KMT2A Q03164 4/20 0.52
▸ THRA P10827 1/20 0.48
▸ VDR P11473 1/20 0.48
▸ ME2 P23368 4/20 0.47
▸ ME1 P48163 4/20 0.47
▸ ME3 Q16798 4/20 0.47
▸ MAPT P10636 4/20 0.47
▸ LMNA P02545 3/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ POLB P06746 2/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ HBB P68871 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ EIF4H Q15056 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HTT P42858 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
SCHEMBL2312088 0.87 GAA (0.61) GAAKMT2ATHRAVDRME2
SCHEMBL12206763 0.85 MAPT (0.52) GAAKMT2AME2ME1ME3
SCHEMBL2309957 0.85 MAPT (0.52) GAAKMT2AME2ME1ME3
SCHEMBL2312241 0.83 KMT2A (0.49) GAAKMT2ATHRAVDRMAPT
SCHEMBL12206786 0.83 KMT2A (0.49) GAAKMT2ATHRAVDRMAPT
SCHEMBL13465986 0.77 GAA (0.52) GAAKMT2AME2ME1ME3
SCHEMBL12293867 0.77 SLC6A7 (0.52) GAAKMT2AMAPTLMNAKDM4E
SCHEMBL12206776 0.76 SLC6A7 (0.48) GAAKMT2AME2ME1ME3
SCHEMBL2309820 0.76 SLC6A7 (0.48) GAAKMT2AME2ME1ME3
SCHEMBL3801230 0.74 ME2 (0.61) GAAKMT2AME2ME1ME3

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-20110250135-A1 Piperazine Derivatives for Binding and Imaging Amyloid Plaques and Their Use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-10-13 — — US disclosed
US-20110250135-A1 Piperazine Derivatives for Binding and Imaging Amyloid Plaques and Their Use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-10-13 — — US disclosed
US-20110250135-A1 Piperazine Derivatives for Binding and Imaging Amyloid Plaques and Their Use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-10-13 — — US disclosed
EP-2350000-A1 PIPERAZINE DERIVATIVES FOR BINDING AND IMAGING AMYLOID PLAQUES AND THEIR USE Bayer Schering Pharma Aktiengesellschaft (DE) 2011-08-03 — — EP disclosed
WO-2010028776-A1 PIPERAZINE DERIVATIVES FOR BINDING AND IMAGING AMYLOID PLAQUES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-03-18 — — 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-20110250135-A1 Piperazine Derivatives for Binding and Imaging Amyloid Plaques and Their Use APP, APBA1, PSEN1 GAA 2063/4885KMT2A 4443/4885THRA 4575/4885

“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.

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