SCHEMBL5705178

SCHEMBL5705178

O=C(O)N1CCC(C2CN(Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.51
SIRT1 Q96EB6 1/20 0.51
SIGMAR1 Q99720 4/20 0.46
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
HTT P42858 1/20 0.43
BCHE P06276 2/20 0.42
ACHE P22303 2/20 0.42
BACE1 P56817 2/20 0.42
CHRM2 P08172 1/20 0.42
CHRM3 P20309 1/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CCR2 P41597 1/20 0.41
HSP90AA1 P07900 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL5705179 1.00 SIRT2 (0.51) SIRT2SIRT1SIGMAR1ALDH1A1KDM4E
SCHEMBL5704993 0.91 SIRT2 (0.50) SIRT2SIRT1SIGMAR1ALDH1A1KDM4E
SCHEMBL5705189 0.86 ALDH1A1 (0.48) SIRT2SIRT1SIGMAR1ALDH1A1TDP1
SCHEMBL5705188 0.86 ALDH1A1 (0.48) SIRT2SIRT1SIGMAR1ALDH1A1TDP1
SCHEMBL1806368 0.76 CACNA1G (0.45) SIRT1
SCHEMBL1806367 0.76 CACNA1G (0.45) SIRT1
SCHEMBL1806370 0.76 CACNA1G (0.45) SIRT1
SCHEMBL6416345 0.70 KDM4E (0.71) ALDH1A1KDM4ETDP1LMNAMAPT
SCHEMBL15954217 0.68 HTT (0.54) ALDH1A1TDP1HTTLMNAMAPT
SCHEMBL3486900 0.68 MAPT (0.58) ALDH1A1LMNAMAPTSMN1; SMN2KMT2A

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
EP-1691807-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF BONE DISEASES Astellas Pharma Inc. (JP) 2006-08-23 EP disclosed
US-20050245540-A1 New methods FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US disclosed
WO-2005056012-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF BONE DISEASES ASTELLAS PHARMA INC. (JP) 2005-06-23 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-20050245540-A1 New methods TGFB1, TGFBR1, TGFB2 SIRT2 664/4885SIRT1 515/4885SIGMAR1 1144/4885

“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.