SCHEMBL7318306

SCHEMBL7318306

CC1(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3[N+](=O)[O-])cc2)CSN=N1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.45
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
PTK2 Q05397 1/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
NAMPT P43490 1/20 0.36
F9 P00740 1/20 0.36
F10 P00742 1/20 0.36
RAB9A P51151 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
USP8 P40818 1/20 0.35
MAPT P10636 1/20 0.35
LHCGR P22888 1/20 0.35

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
SCHEMBL7318316 0.75 CRACR2A (0.51) EPHX2PTK2CA12CA1CA2
SCHEMBL7323905 0.74 EPHX2 (0.54) EPHX2IRAK4MAPT
SCHEMBL7325689 0.67 MAPT (0.47) EPHX2CYP11B1CYP11B2CA12CA1
SCHEMBL7239521 0.66 PKM (0.48) EPHX2CYP11B1CYP11B2CA12CA1
SCHEMBL7328104 0.64 NPY5R (0.53) CYP11B1CYP11B2CA12CA1CA2
SCHEMBL7233236 0.64 USP8 (0.48) EPHX2CYP11B1CYP11B2CA12CA1
SCHEMBL7315513 0.64 CA1 (0.52) EPHX2CYP11B1CYP11B2CA12CA1
SCHEMBL7234719 0.64 EPHX2 (0.60) EPHX2CYP11B1CYP11B2CA12CA1
SCHEMBL7320959 0.63 BCHE (0.42) CYP11B1CYP11B2CA12CA1CA2
SCHEMBL7327417 0.62 USP8 (0.46) CYP11B1CYP11B2CA12CA1CA2

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 claimed

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 EPHX2 732/4885CYP11B1 26/4885CYP11B2 18/4885

“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.