SCHEMBL6325351

SCHEMBL6325351

O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1CCN(c2ccsc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.71
LMNA P02545 4/20 0.71
POLB P06746 3/20 0.71
ALDH1A1 P00352 2/20 0.71
L3MBTL1 Q9Y468 1/20 0.71
KDM4E B2RXH2 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
PARP1 P09874 2/20 0.49
ACACB O00763 2/20 0.49
ACACA Q13085 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
F2 P00734 1/20 0.46
HSP90AA1 P07900 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL6097713 0.82 MAPT (0.58) MAPTLMNAPOLBALDH1A1L3MBTL1
SCHEMBL6097714 0.82 MAPT (0.55) MAPTLMNAPOLBALDH1A1L3MBTL1
SCHEMBL6330003 0.82 MAPT (0.66) MAPTLMNAPOLBALDH1A1L3MBTL1
SCHEMBL6326934 0.79 MAPT (0.66) MAPTLMNAPOLBALDH1A1L3MBTL1
SCHEMBL6325060 0.79 MAPT (0.64) MAPTLMNAPOLBALDH1A1L3MBTL1
SCHEMBL911002 0.75 MAPT (0.60) MAPTLMNAPOLBALDH1A1L3MBTL1
SCHEMBL6097939 0.75 MAPT (0.58) MAPTLMNAPOLBALDH1A1L3MBTL1
SCHEMBL6112384 0.74 MAPK14 (0.55) MAPTLMNAALDH1A1HTTNPSR1
SCHEMBL6097941 0.74 MAPT (0.55) MAPTLMNAPOLBALDH1A1L3MBTL1
SCHEMBL14648024 0.73 LMNA (0.52) MAPTLMNAPOLBALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6838461-B1 N-(indolcarbonyl-)piperazine derivatives MERCK PATENT GMBH (DE) 2005-01-04 US claimed
US-20050096330-A1 N-(indolecarbonyl) piperazine derivatives BOETTCHER HENNING (DE) 2005-05-05 US disclosed
US-6838461-B1 N-(indolcarbonyl-)piperazine derivatives MERCK PATENT GMBH (DE) 2005-01-04 US 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-20050096330-A1 N-(indolecarbonyl) piperazine derivatives HTR2A, HTR2B, HTR2C MAPT 1280/4885LMNA 670/4885POLB 2118/4885

“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.