SCHEMBL514504

SCHEMBL514504

CC1(C)CC(=O)N(Cc2ccccc2[N+](=O)[O-])CO1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.45
SIRT2 Q8IXJ6 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
ALDH1A1 P00352 6/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
TAS2R8 Q9NYW2 1/20 0.40
CA2 P00918 1/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GSK3B P49841 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL1965256 0.79 ACHE (0.49) ACHESIRT2SIRT1CA12CA9
SCHEMBL27796262 0.78 ACHE (0.54) ACHECA12CA9ALDH1A1MEN1
SCHEMBL515217 0.78 ACHE (0.51) ACHESIRT2SIRT1CA12CA9
SCHEMBL1963661 0.77 ACHE (0.50) ACHESIRT2SIRT1CA12CA9
SCHEMBL513978 0.75 SIRT2 (0.46) ACHESIRT2SIRT1CA12CA9
SCHEMBL1966497 0.75 ACHE (0.50) ACHECA12CA9ALDH1A1MEN1
SCHEMBL515596 0.72 ACHE (0.47) ACHESIRT2SIRT1CA12CA9
SCHEMBL4918680 0.72 ACHE (0.47) ACHESIRT2SIRT1CA12CA9
SCHEMBL1964083 0.71 ACHE (0.66) ACHESIRT2SIRT1ALDH1A1MEN1
SCHEMBL514404 0.70 ACHE (0.48) 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
EP-2420493-A1 HALOALKYLSULFONANILIDE DERIVATIVE Nissan Chemical Industries, Ltd. (JP) 2012-02-22 EP disclosed
US-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-02-02 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-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE CBR3, CBR1, HDHD5 ACHE 1148/4885SIRT2 2248/4885SIRT1 2729/4885

“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.