SCHEMBL514404

SCHEMBL514404

O=C1COCCN1Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.48
ALDH1A1 P00352 4/20 0.47
HPGD P15428 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.43
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
TACR1 P25103 2/20 0.42
DPP4 P27487 1/20 0.42
CA2 P00918 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL9008678 0.79 ACHE (0.65) ACHEALDH1A1MEN1POLBKMT2A
SCHEMBL513978 0.78 SIRT2 (0.46) ACHEALDH1A1HPGDSIRT2SIRT1
SCHEMBL514643 0.77 SIRT2 (0.42) SIRT2SIRT1
SCHEMBL28782635 0.76 ACHE (0.48) ACHEALDH1A1HPGDSIRT2SIRT1
SCHEMBL2581182 0.76 ACHE (0.48) ACHEALDH1A1HPGDSIRT2SIRT1
SCHEMBL16466757 0.75 SIRT2 (0.48) ACHEALDH1A1HPGDSIRT2SIRT1
SCHEMBL16589753 0.75 ACHE (0.54) ACHEALDH1A1HPGDSIRT2SIRT1
SCHEMBL25834645 0.75 KCNJ1 (0.61) ALDH1A1KDM4EMAPT
SCHEMBL1964083 0.74 ACHE (0.66) ACHEALDH1A1SIRT2SIRT1MEN1
SCHEMBL1965256 0.74 ACHE (0.49) 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
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 1148/4885ALDH1A1 1574/4885HPGD 3162/4885

“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.