SCHEMBL4914167

SCHEMBL4914167

CC[n+]1ccccc1-c1c2nc(c(-c3cccc[n+]3CC)c3ccc([nH]3)c(-c3cccc[n+]3CC)c3nc(c(-c4cccc[n+]4CC)c4ccc1[nH]4)C=C3)C=C2.[Mn]

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 6/20 0.51
▸ TOP1 P11387 2/20 0.35
▸ CYCS P99999 2/20 0.35
▸ ENPP2 Q13822 1/20 0.34

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
Hydrochloric Acid SCHEMBL4753685 0.99 TERT (0.53) TERTTOP1CYCS
SCHEMBL453031 0.99 TERT (0.52) TERTTOP1CYCSENPP2
SCHEMBL29935687 0.97 TERT (0.51) TERTTOP1CYCSENPP2
Hydrochloric Acid SCHEMBL4753666 0.96 TERT (0.50) TERTTOP1CYCSENPP2
SCHEMBL450264 0.89 TERT (0.48) TERTTOP1CYCSENPP2
SCHEMBL452379 0.86 TERT (0.46) TERTTOP1
SCHEMBL6007193 0.85 STAT3 (0.49) TERT
SCHEMBL30096016 0.84 NPC1 (0.45) TERT
SCHEMBL452116 0.84 NPC1 (0.45) TERT
SCHEMBL451943 0.84 NPC1 (0.45) TERT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1045851-A4 SUBSTITUTED PORPHYRINS UNIV DUKE (US) 2001-05-09 — — EP disclosed
EP-1045851-A1 SUBSTITUTED PORPHYRINS DUKE UNIVERSITY (US) 2000-10-25 — — EP disclosed
WO-1999023097-A1 SUBSTITUTED PORPHYRINS DUKE UNIVERSITY (US) 1999-05-14 — — 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 (4 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 821/4885TOP1 4291/4885CYCS 76/4885
US-20070179124-A1 Substituted Porphyrins PPOX, GPX4, PRDX5 TERT 821/4885TOP1 4291/4885CYCS 76/4885
US-20020042407-A1 Antiinflammatory agents; respiratory system disorders LPO, PRDX5, MPO TERT 3237/4885TOP1 4338/4885CYCS 265/4885
US-20060074062-A1 Substituted porphyrins PPOX, GPX4, PRDX5 TERT 821/4885TOP1 4291/4885CYCS 76/4885

“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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