SCHEMBL4918680

SCHEMBL4918680

CC1(C)CN(Cc2ccccc2[N+](=O)[O-])C(=O)S1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.47
ALDH1A1 P00352 7/20 0.42
HPGD P15428 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
TSHR P16473 1/20 0.42
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
CA2 P00918 1/20 0.41
GSK3B P49841 2/20 0.41
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL4913055 0.75 ACHE (0.47) ACHEALDH1A1TSHRCA12CA9
SCHEMBL9513200 0.74 ACHE (0.50) ACHEALDH1A1HPGDSIRT2SIRT1
SCHEMBL1965256 0.73 ACHE (0.49) ACHEALDH1A1HPGDSIRT2SIRT1
SCHEMBL4918818 0.72 ACHE (0.45) ACHEALDH1A1TSHRCA12CA9
SCHEMBL514504 0.72 ACHE (0.45) ACHEALDH1A1HPGDSIRT2SIRT1
SCHEMBL1966497 0.71 ACHE (0.50) ACHEALDH1A1TSHRCA12CA9
SCHEMBL4920921 0.71 ACHE (0.47) ACHEALDH1A1SIRT2SIRT1TSHR
SCHEMBL2574382 0.71 ACHE (0.44) ACHEALDH1A1HPGDSIRT2SIRT1
SCHEMBL1963661 0.71 ACHE (0.50) ACHEALDH1A1HPGDSIRT2SIRT1
SCHEMBL1964762 0.71 ACHE (0.53) ACHEALDH1A1HPGDSIRT2SIRT1

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 357/4885ALDH1A1 704/4885HPGD 1736/4885

“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.