SCHEMBL869153

SCHEMBL869153

C[n+]1cccc(-c2c3nc(c(-c4ccc[n+](C)c4)c4ccc([nH]4)c(-c4ccc[n+](C)c4)c4nc(c(-c5ccc[n+](C)c5)c5ccc2[nH]5)C=C4)C=C3)c1

nearest known ligand 0.94

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 6/20 0.94
▸ ENPP2 Q13822 1/20 0.46
▸ TOP1 P11387 3/20 0.44
▸ CYCS P99999 2/20 0.43
▸ STAT3 P40763 1/20 0.41
▸ STAT1 P42224 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
Iodide SCHEMBL20240644 0.83 TERT (0.67) TERTENPP2TOP1CYCSSTAT3
Iodide SCHEMBL30767160 0.83 TERT (0.67) TERTENPP2TOP1CYCSSTAT3
SCHEMBL3465842 0.82 TERT (0.65) TERTENPP2TOP1CYCSSTAT3
SCHEMBL20380004 0.81 TERT (0.85) TERTENPP2TOP1CYCSSTAT3
SCHEMBL20380012 0.81 TERT (0.85) TERTENPP2TOP1CYCSSTAT3
SCHEMBL20379925 0.81 TERT (0.85) TERTENPP2TOP1CYCSSTAT3
Tmpyp4 SCHEMBL265519 0.80 TERT (0.97) TERTENPP2TOP1CYCS
Tmpyp4 SCHEMBL29369473 0.79 TERT (1.00) TERTENPP2TOP1CYCS
Tmpyp4 SCHEMBL20380171 0.79 TERT (0.93) TERTENPP2TOP1CYCS
SCHEMBL30136 0.76 TOP1 (0.64) TERTENPP2TOP1CYCSSTAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243294-A1 METHOD OF ACTIVATION OF OXAZAPHOSPHORINES DUKE UNIVERSITY (US) 2014-08-28 — — US disclosed
US-8759324-B2 Method of activation of oxazaphosphorines DUKE UNIVERSITY (US) 2014-06-24 — — US disclosed
US-20130172296-A1 METHOD OF ACTIVATION OF OXAZAPHOSPHORINES UNIV DUKE (US) 2013-07-04 — — US disclosed
US-8399434-B2 Method of activation of oxazaphosphorines DUKE UNIVERSITY (US) 2013-03-19 — — US disclosed
US-20120077782-A9 METHOD OF ACTIVATION OF OXAZAPHOSPHORINES DUKE UNIVERSITY (US) 2012-03-29 — — US disclosed
US-20090318388-A1 METHOD OF ACTIVATION OF OXAZAPHOSPHORINES DUKE UNIVERSITY (US) 2009-12-24 — — US disclosed
WO-2008073195-A2 METHOD FOR ACTIVATION OF OXAZAPHOSPHORINES DUKE UNIVERSITY (US) 2008-06-19 — — WO disclosed
US-20080113956-A1 Substituted Porphyrins FRIDOVICH IRWIN 2008-05-15 — — US disclosed
US-20070179124-A1 Substituted Porphyrins FRIDOVICH IRWIN 2007-08-02 — — US disclosed
US-20060074062-A1 Substituted porphyrins DUKE UNIVERSITY (US) 2006-04-06 — — US disclosed
US-6916799-B2 Substituted porphyrins DUKE UNIVERSITY (US) 2005-07-12 — — US disclosed
EP-1045851-B1 SUBSTITUTED PORPHYRINS UNIV DUKE (US) 2003-04-23 — — EP disclosed
US-20020042407-A1 Antiinflammatory agents; respiratory system disorders DUKE UNIVERSITY 2002-04-11 — — 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 (8 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-20080113956-A1 Substituted Porphyrins PPOX, GPX4, PRDX5 TERT 821/4885ENPP2 399/4885TOP1 4291/4885
US-20070179124-A1 Substituted Porphyrins PPOX, GPX4, PRDX5 TERT 821/4885ENPP2 399/4885TOP1 4291/4885
US-20090318388-A1 METHOD OF ACTIVATION OF OXAZAPHOSPHORINES PPOX, HMBS, OAT TERT 3295/4885ENPP2 398/4885TOP1 1564/4885
US-20020042407-A1 Antiinflammatory agents; respiratory system disorders LPO, PRDX5, MPO TERT 3237/4885ENPP2 126/4885TOP1 4338/4885
US-20060074062-A1 Substituted porphyrins PPOX, GPX4, PRDX5 TERT 821/4885ENPP2 399/4885TOP1 4291/4885
US-20140243294-A1 METHOD OF ACTIVATION OF OXAZAPHOSPHORINES PPOX, HMBS, OAT TERT 3295/4885ENPP2 398/4885TOP1 1564/4885
US-20120077782-A9 METHOD OF ACTIVATION OF OXAZAPHOSPHORINES PPOX, HMBS, OAT TERT 3295/4885ENPP2 398/4885TOP1 1564/4885
US-20130172296-A1 METHOD OF ACTIVATION OF OXAZAPHOSPHORINES PPOX, HMBS, OAT TERT 3295/4885ENPP2 398/4885TOP1 1564/4885

“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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