SCHEMBL4909147

SCHEMBL4909147

CC1(C)OC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.57
CTSG P08311 1/20 0.57
PRTN3 P24158 1/20 0.57
ACHE P22303 3/20 0.47
CA12 O43570 2/20 0.45
CA9 Q16790 2/20 0.45
ALDH1A1 P00352 6/20 0.43
TSHR P16473 1/20 0.43
CA2 P00918 1/20 0.42
GSK3B P49841 3/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TYR P14679 1/20 0.41
HTT P42858 1/20 0.41
PTPN1 P18031 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 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
SCHEMBL4913055 0.76 ACHE (0.47) ACHECA12CA9ALDH1A1TSHR
SCHEMBL1966497 0.75 ACHE (0.50) ACHECA12CA9ALDH1A1TSHR
SCHEMBL2783969 0.73 ALDH1A1 (0.53) ACHECA12CA9ALDH1A1TSHR
SCHEMBL7114927 0.73 ACHE (0.56) ACHECA12CA9ALDH1A1TSHR
SCHEMBL4919438 0.73 ACHE (0.51) ACHECA12CA9ALDH1A1TSHR
SCHEMBL4917369 0.73 ACHE (0.45) ACHECA12CA9ALDH1A1TSHR
SCHEMBL4047966 0.72 TYR (0.67) ACHECA12CA9ALDH1A1TSHR
SCHEMBL28663777 0.72 GSK3B (0.53) ACHECA12CA9ALDH1A1TSHR
SCHEMBL4920921 0.72 ACHE (0.47) ACHECA12CA9ALDH1A1TSHR
SCHEMBL4923549 0.71 ACHE (0.43) ACHECA12CA9ALDH1A1TSHR

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 ELANE 4416/4885CTSG 4047/4885PRTN3 3689/4885

“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.