SCHEMBL5705189

SCHEMBL5705189

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
GPR119 Q8TDV5 3/20 0.44
TP53 P04637 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC8 Q9BY41 1/20 0.41
MGLL Q99685 1/20 0.40
DRD4 P21917 1/20 0.40
NR1D1 P20393 2/20 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
SCHEMBL5705188 1.00 ALDH1A1 (0.48) ALDH1A1LMNAMAPTSIRT2SIRT1
SCHEMBL5704993 0.87 SIRT2 (0.50) ALDH1A1LMNAMAPTSIRT2SIRT1
SCHEMBL5705179 0.86 SIRT2 (0.51) ALDH1A1LMNAMAPTSIRT2SIRT1
SCHEMBL5705178 0.86 SIRT2 (0.51) ALDH1A1LMNAMAPTSIRT2SIRT1
SCHEMBL7712465 0.76 GPR119 (0.56) ALDH1A1GPR119JAK2JAK1
SCHEMBL4773795 0.74 LMNA (0.61) ALDH1A1LMNAMAPTGPR119TDP1
SCHEMBL22529564 0.74 ALDH1A1 (0.56) ALDH1A1LMNAMAPTSIGMAR1MGLL
SCHEMBL377491 0.74 ALDH1A1 (0.67) ALDH1A1LMNAMAPTTDP1MGLL
SCHEMBL14782744 0.73 ALDH1A1 (0.60) ALDH1A1LMNAMAPTGPR119MGLL
SCHEMBL5705160 0.73 SLC2A1 (0.52) ALDH1A1LMNAMAPTHDAC1HDAC6

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 ALDH1A1 885/4885LMNA 874/4885MAPT 4269/4885

“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.