SCHEMBL2363369

SCHEMBL2363369

CC[N+]([O-])(C(=O)c1cccc(OCCOS(=O)(=O)c2ccc(C)cc2)c1)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
HPGD P15428 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 7/20 0.45
USP2 O75604 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
ESR2 Q92731 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP7 P09237 1/20 0.40
MMP9 P14780 1/20 0.40
MMP12 P39900 1/20 0.40
MMP14 P50281 1/20 0.40
MMP15 P51511 1/20 0.40

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
SCHEMBL2313079 0.98 HTT (0.44) HTTHPGDTDP1MAPTUSP2
SCHEMBL2522259 0.87 MAPT (0.50) HTTHPGDTDP1MAPTUSP2
SCHEMBL2310519 0.83 MAPT (0.49) HTTHPGDTDP1MAPTUSP2
SCHEMBL2312887 0.82 MAPT (0.50) HTTHPGDTDP1MAPTUSP2
SCHEMBL2363367 0.81 MAPT (0.53) HTTHPGDTDP1MAPTUSP2
SCHEMBL2313072 0.79 MAPT (0.51) HTTHPGDTDP1MAPTUSP2
SCHEMBL2309047 0.76 MAPT (0.54) HTTMAPTKMT2AALDH1A1KDM4E
SCHEMBL31748240 0.73 CA12 (0.49) LMNAMMP1MMP2MMP7MMP9
SCHEMBL31133435 0.71 KMT2A (0.57) KMT2AMAOBKAT6ANR4A2
SCHEMBL21819012 0.71 KMT2A (0.57) KMT2AMAOBKAT6ANR4A2

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 4 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
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
EP-2163541-A1 Piperazine derivatives for binding and imaging amyloid plaques and their use Bayer Schering Pharma Aktiengesellschaft (DE) 2010-03-17 EP 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 HTT 211/4885HPGD 2190/4885TDP1 2827/4885

“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.