SCHEMBL502652

SCHEMBL502652

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 2/20 0.41
ABCG2 Q9UNQ0 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
TUBB1 Q9H4B7 5/20 0.39
TUBB4A P04350 2/20 0.39
TUBB P07437 2/20 0.39
TUBA3C P0DPH7 2/20 0.39
TUBA1B P68363 2/20 0.39
TUBA4A P68366 2/20 0.39
TUBB4B P68371 2/20 0.39
TUBB3 Q13509 2/20 0.39
TUBB2A Q13885 2/20 0.39

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
SCHEMBL502650 1.00 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL503154 0.76 ABCG2 (0.57) ABCG2TUBB1TUBB4ATUBBTUBA3C
SCHEMBL503155 0.76 ABCG2 (0.57) ABCG2TUBB1TUBB4ATUBBTUBA3C
SCHEMBL3655501 0.72 TUBB4A (0.48) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL5462358 0.69 RECQL (0.56) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL5462360 0.69 RECQL (0.56) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL28187635 0.69 MAPT (0.52) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL4886498 0.68 KDM4E (0.59) MAPTHTTMEN1ALDH1A1KMT2A
SCHEMBL502651 0.68 TUBB1 (0.43) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL4625442 0.68 TUBB1 (0.58) CYP3A4MAPTHTTABCG2MEN1

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 6 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
EP-2207784-A1 LUMINOPHORES University of York (GB) 2010-07-21 EP disclosed
WO-2009040551-A1 LUMINOPHORES UNIVERSITY OF YORK (GB) 2009-04-02 WO 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 PDE4A 4431/4885PDE4B 4735/4885PDE4C 4432/4885
US-20100317851-A1 LUMINOPHORES PPOX, CRY1, MPO PDE4A 4515/4885PDE4B 4733/4885PDE4C 4497/4885

“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.