SCHEMBL502651

SCHEMBL502651

COc1cc(C(C=O)=NN=NO)cc(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 5/20 0.43
▸ TUBB4A P04350 4/20 0.43
▸ TUBB P07437 4/20 0.43
▸ TUBA3C P0DPH7 4/20 0.43
▸ TUBA1B P68363 4/20 0.43
▸ TUBA4A P68366 4/20 0.43
▸ TUBB4B P68371 4/20 0.43
▸ TUBB3 Q13509 4/20 0.43
▸ TUBB2A Q13885 4/20 0.43
▸ TUBB8 Q3ZCM7 4/20 0.43
▸ TUBA3E Q6PEY2 4/20 0.43
▸ TUBA1A Q71U36 4/20 0.43
▸ TUBA1C Q9BQE3 4/20 0.43
▸ TUBB6 Q9BUF5 4/20 0.43
▸ TUBB2B Q9BVA1 4/20 0.43
▸ NQO2 P16083 1/20 0.43
▸ ABCG2 Q9UNQ0 1/20 0.41
▸ PDE4A P27815 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ PDE4C Q08493 1/20 0.41

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
SCHEMBL3655501 0.83 TUBB4A (0.48) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3656366 0.72 ABCG2 (0.51) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL374153 0.71 ABCG2 (0.62) TUBB1TUBB4ATUBBTUBA3CTUBA1B
Water SCHEMBL15135999 0.69 ABCG2 (0.60) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7122113 0.69 TUBB1 (0.54) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL502650 0.68 PDE4A (0.42) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL502652 0.68 PDE4A (0.42) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL503155 0.67 ABCG2 (0.57) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL503154 0.67 ABCG2 (0.57) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL28187635 0.66 MAPT (0.52) TUBB1TUBB4ATUBBTUBA3CTUBA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293898-B2 Luminophores UNIVERSITY OF YORK (GB) 2012-10-23 — — US disclosed
US-20120157681-A1 LUMINOPHORES UNIVERSITY OF YORK (GB) 2012-06-21 — — US disclosed
US-8106193-B2 Luminophores UNIVERSITY OF YORK (GB) 2012-01-31 — — US disclosed
US-20100317851-A1 LUMINOPHORES UNIVERSITY OF YORK (GB) 2010-12-16 — — 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-20120157681-A1 LUMINOPHORES PPOX, CRY1, MPO TUBB1 344/4885TUBB4A 362/4885TUBB 434/4885
US-20100317851-A1 LUMINOPHORES PPOX, CRY1, MPO TUBB1 492/4885TUBB4A 329/4885TUBB 450/4885

“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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