SCHEMBL18966274

SCHEMBL18966274

CC(C)(C)OC(=O)Nc1cc(N=O)cc(N=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CYP17A1 P05093 3/20 0.40
▸ PSMB8 P28062 1/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ MIF P14174 1/20 0.39
▸ TOP2A P11388 1/20 0.39
▸ TOP2B Q02880 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HDAC3 O15379 2/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC2 Q92769 2/20 0.38
▸ HDAC8 Q9BY41 2/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38

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
SCHEMBL24908194 0.84 CYP17A1 (0.50) CA12CA1CA9CYP17A1NAMPT
SCHEMBL13885934 0.83 CYP17A1 (0.50) CA12CA1CA9CYP17A1PSMB8
SCHEMBL7477384 0.77 CA12 (0.48) CA12CA1CA9CYP17A1PSMB8
SCHEMBL20226398 0.77 LMNA (0.53) CA12CA1CA9CYP17A1PSMB8
SCHEMBL16302366 0.77 CA12 (0.51) CA12CA1CA9CYP17A1PSMB8
SCHEMBL19037775 0.76 SMN1; SMN2 (0.39) CA1NPC1RAB9ASMN1; SMN2HDAC3
SCHEMBL13055402 0.75 CYP17A1 (0.59) CA12CA1CA9CYP17A1PSMB8
SCHEMBL19826504 0.75 LCK (0.45) CA12CA1CA9CYP17A1PSMB8
SCHEMBL10305747 0.75 MAP4K4 (0.46) CA12CA1CA9CYP17A1PSMB8
SCHEMBL1689760 0.75 CA12 (0.43) CA12CA1CA9CYP17A1PSMB8

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
US-9958452-B2 Highly fluorogenic protein labelling agents UNIVERSITY OF OTTAWA (CA) 2018-05-01 — — US disclosed
US-20170168064-A1 HIGHLY FLUOROGENIC PROTEIN LABELLING AGENTS UNIVERSITY OF OTTAWA (CA) 2017-06-15 — — 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-20170168064-A1 HIGHLY FLUOROGENIC PROTEIN LABELLING AGENTS IK, PFDN2, FABP2 CA12 2714/4885CA1 2593/4885CA9 4146/4885

“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.

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