SCHEMBL4918809

SCHEMBL4918809

CC1OC(=O)N(Cc2ccccc2[N+](=O)[O-])C1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.49
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
CA12 O43570 2/20 0.44
CA9 Q16790 2/20 0.44
ALDH1A1 P00352 7/20 0.41
TSHR P16473 1/20 0.41
P2RX7 Q99572 1/20 0.41
CA2 P00918 1/20 0.41
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
FEN1 P39748 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL4917369 0.76 ACHE (0.45) ACHESIRT2SIRT1CA12CA9
SCHEMBL4919438 0.74 ACHE (0.51) ACHESIRT2SIRT1CA12CA9
SCHEMBL1963821 0.73 ACHE (0.48) ACHESIRT2SIRT1CA12CA9
SCHEMBL1963337 0.72 ACHE (0.53) ACHESIRT2SIRT1CA12CA9
SCHEMBL2783969 0.71 ALDH1A1 (0.53) ACHECA12CA9ALDH1A1TSHR
SCHEMBL4923632 0.71 ACHE (0.48) ACHESIRT2SIRT1CA12CA9
SCHEMBL4918818 0.71 ACHE (0.45) ACHECA12CA9ALDH1A1TSHR
SCHEMBL1963519 0.71 ACHE (0.48) ACHESIRT2SIRT1CA12CA9
SCHEMBL1964986 0.70 ACHE (0.47) ACHESIRT2SIRT1CA12CA9
SCHEMBL4919773 0.69 SIRT2 (0.52) ACHESIRT2SIRT1CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.