SCHEMBL4923540

SCHEMBL4923540

CC1CN(Cc2ccccc2[N+](=O)[O-])C(=S)O1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.52
SIRT2 Q8IXJ6 1/20 0.52
SIRT1 Q96EB6 1/20 0.52
KDM1A O60341 1/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 1/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GSK3B P49841 2/20 0.40
P2RX7 Q99572 1/20 0.39
TACR1 P25103 1/20 0.39

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
SCHEMBL4919452 0.77 SIRT1 (0.47) SIRT2SIRT1KDM4E
SCHEMBL4919773 0.74 SIRT2 (0.52) ACHESIRT2SIRT1ALDH1A1HPGD
SCHEMBL515217 0.73 ACHE (0.51) ACHESIRT2SIRT1ALDH1A1HPGD
SCHEMBL2574382 0.72 ACHE (0.44) ACHESIRT2SIRT1ALDH1A1HPGD
SCHEMBL2577267 0.72 ACHE (0.49) ACHESIRT2SIRT1KDM1AALDH1A1
SCHEMBL2582291 0.72 ACHE (0.62) ACHESIRT2SIRT1ALDH1A1CA12
SCHEMBL16589753 0.71 ACHE (0.54) ACHESIRT2SIRT1ALDH1A1HPGD
SCHEMBL1963661 0.70 ACHE (0.50) ACHESIRT2SIRT1KDM1AALDH1A1
SCHEMBL1964083 0.69 ACHE (0.66) ACHESIRT2SIRT1ALDH1A1MEN1
SCHEMBL4914436 0.69 PTGS1 (0.39) SIRT2SIRT1

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
CN-101111485-B Novel haloalkylsulfonanilide derivatives, herbicides, and methods of use thereof NIHON NOHYAKU CO LTD 2010-10-27 CN disclosed
US-20080274892-A1 Novel Haloalkylsulfonanilide Derivative, Herbicide, and Method of Use Thereof NIHON NOHYAKU CO., LTD. (JP) 2008-11-06 US disclosed
EP-1852425-A1 NOVEL HALOALKYLSULFONANILIDE DERIVATIVE, HERBICIDE, AND METHOD OF USE THEREOF Nihon Nohyaku Co., Ltd. (JP) 2007-11-07 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-20080274892-A1 Novel Haloalkylsulfonanilide Derivative, Herbicide, and Method of Use Thereof HDHD5, DDT, CBR3 ACHE 357/4885SIRT2 1134/4885SIRT1 1312/4885

“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.