SCHEMBL7320959

SCHEMBL7320959

O=[N+]([O-])c1ccc(-n2nc(-c3cccnc3)cc2C2SCCS2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.42
USP8 P40818 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CYP19A1 P11511 3/20 0.41
CYP11B1 P15538 3/20 0.41
CYP11B2 P19099 3/20 0.41
GSK3B P49841 2/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA5 P30532 1/20 0.40
CHRNA4 P43681 1/20 0.40
PKM P14618 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL7328104 0.78 NPY5R (0.53) USP8CA12CA1CA2CA9
SCHEMBL7327417 0.77 USP8 (0.46) USP8CA12CA1CA2CA9
SCHEMBL7236975 0.76 USP8 (0.44) USP8CA12CA1CA2CA9
SCHEMBL7233236 0.76 USP8 (0.48) USP8CA12CA1CA2CA9
SCHEMBL7239521 0.76 PKM (0.48) USP8CA12CA1CA2CA9
SCHEMBL7315513 0.76 CA1 (0.52) USP8CA12CA1CA2CA9
SCHEMBL7234719 0.76 EPHX2 (0.60) USP8CA12CA1CA2CA9
SCHEMBL7233586 0.76 MAPT (0.53) BCHEUSP8CA12CA1CA2
SCHEMBL7314318 0.76 USP8 (0.48) USP8CA12CA1CA2CA9
SCHEMBL7325689 0.72 MAPT (0.47) USP8CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130165483-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-20130165483-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
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 (2 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-20130165483-A1 HETEROARYLS AND USES THEREOF PIK3R5, PIK3R4, PIK3C2B BCHE 3890/4885USP8 446/4885CA12 4882/4885
US-20010044445-A1 AZOLE INHIBITORS OF CYTOKINE PRODUCTION IL5, IL2, IL4 BCHE 3484/4885USP8 4088/4885CA12 1055/4885

“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.