SCHEMBL1661410

SCHEMBL1661410

CN(C)CC1CNCCN1S(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 6/20 0.53
SLC6A2 P23975 3/20 0.49
SLC6A4 P31645 3/20 0.49
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 3/20 0.48
MCOLN3 Q8TDD5 3/20 0.45
KCNH2 Q12809 1/20 0.43
TSHR P16473 1/20 0.43
HTR6 P50406 1/20 0.43
CCR4 P51679 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTT P42858 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
SCHEMBL1618700 0.85 PKM (0.60) PKMSLC6A2SLC6A4LMNASMN1; SMN2
SCHEMBL8156311 0.83 PKM (0.52) PKMSLC6A2SLC6A4LMNASMN1; SMN2
SCHEMBL6184463 0.83 PKM (0.54) PKMSLC6A2SLC6A4LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL8153630 0.82 PKM (0.51) PKMSLC6A2SLC6A4LMNASMN1; SMN2
SCHEMBL6793306 0.81 PKM (0.49) PKMSLC6A2SLC6A4LMNASMN1; SMN2
SCHEMBL1617124 0.74 PKM (0.55) PKMLMNASMN1; SMN2ALDH1A1MCOLN3
SCHEMBL6301308 0.74 PKM (0.45) PKMHTR6
SCHEMBL1617222 0.72 HDAC3 (0.50) PKMLMNASMN1; SMN2ALDH1A1TSHR
SCHEMBL22089254 0.71 TSHR (0.47) SLC6A2SLC6A4LMNAALDH1A1TSHR
SCHEMBL20869728 0.71 PKM (0.63) PKMLMNASMN1; SMN2ALDH1A1MCOLN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088754-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE EMELEN KRISTOF VAN (BE) 2012-04-12 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-20120088754-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC3, HDAC1, HDAC11 PKM 424/4885SLC6A2 3795/4885SLC6A4 2541/4885

“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.