SCHEMBL7315513

SCHEMBL7315513

O=[N+]([O-])c1ccc(-n2nc(-c3cccnc3)cc2CO)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.52
CA2 P00918 4/20 0.52
CA9 Q16790 4/20 0.52
EPHX2 P34913 1/20 0.49
MAPT P10636 4/20 0.48
POLB P06746 1/20 0.48
CYP19A1 P11511 3/20 0.46
CYP11B1 P15538 3/20 0.46
CYP11B2 P19099 3/20 0.46
USP8 P40818 1/20 0.46
CA12 O43570 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA5 P30532 1/20 0.43
CHRNA4 P43681 1/20 0.43
PKM P14618 2/20 0.43

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
SCHEMBL7234719 0.88 EPHX2 (0.60) CA1CA2CA9EPHX2MAPT
SCHEMBL7328104 0.82 NPY5R (0.53) CA1CA2CA9MAPTCYP19A1
SCHEMBL7239521 0.81 PKM (0.48) CA1CA2CA9EPHX2MAPT
SCHEMBL7327417 0.80 USP8 (0.46) CA1CA2CA9MAPTCYP19A1
SCHEMBL7314318 0.79 USP8 (0.48) CA1CA2CA9EPHX2MAPT
SCHEMBL7233586 0.79 MAPT (0.53) CA1CA2CA9MAPTCYP19A1
SCHEMBL7233236 0.79 USP8 (0.48) CA1CA2CA9EPHX2MAPT
SCHEMBL7325689 0.78 MAPT (0.47) CA1CA2CA9EPHX2MAPT
SCHEMBL15070459 0.78 MMP2 (0.57) CA1CA2CA9MAPTCYP19A1
SCHEMBL7236975 0.77 USP8 (0.44) CA1CA2CA9MAPTUSP8

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 CA1 4881/4885CA2 4807/4885CA9 4686/4885
US-20010044445-A1 AZOLE INHIBITORS OF CYTOKINE PRODUCTION IL5, IL2, IL4 CA1 935/4885CA2 469/4885CA9 1014/4885

“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.