SCHEMBL7326688

SCHEMBL7326688

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cc(-c2cccnc2)nn1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
ALDH1A1 P00352 4/20 0.40
GAA P10253 2/20 0.40
KMT2A Q03164 2/20 0.40
PKM P14618 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CYP19A1 P11511 3/20 0.39
CYP11B1 P15538 3/20 0.39
CYP11B2 P19099 3/20 0.39
USP8 P40818 1/20 0.39
LMNA P02545 1/20 0.39
EPHX2 P34913 5/20 0.38
MEN1 O00255 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GPR119 Q8TDV5 1/20 0.37

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
SCHEMBL7318652 0.77 EPHX2 (0.51) EPHX2
SCHEMBL7325689 0.76 MAPT (0.47) MAPTALDH1A1GAAKMT2APKM
SCHEMBL7239521 0.75 PKM (0.48) MAPTALDH1A1GAAKMT2APKM
SCHEMBL7328104 0.74 NPY5R (0.53) MAPTALDH1A1KMT2APKMCA12
SCHEMBL7316397 0.74 HTT (0.43) ALDH1A1GAAKMT2ACYP19A1CYP11B1
SCHEMBL7234719 0.73 EPHX2 (0.60) MAPTALDH1A1GAAKMT2APKM
SCHEMBL7315513 0.73 CA1 (0.52) MAPTALDH1A1GAAKMT2APKM
SCHEMBL7233236 0.73 USP8 (0.48) MAPTALDH1A1GAAKMT2APKM
SCHEMBL7233586 0.73 MAPT (0.53) MAPTALDH1A1GAAKMT2APKM
SCHEMBL7327417 0.72 USP8 (0.46) MAPTALDH1A1GAAKMT2APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010044445-A1 AZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES 2001-11-22 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-20010044445-A1 AZOLE INHIBITORS OF CYTOKINE PRODUCTION IL5, IL2, IL4 MAPT 2674/4885ALDH1A1 211/4885GAA 2993/4885

“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.