SCHEMBL3522117

SCHEMBL3522117

COCCn1cc[n+](C)c1-c1c2nc(c(-c3n(CCOC)cc[n+]3C)c3ccc([nH]3)c(-c3n(CCOC)cc[n+]3C)c3nc(c(-c4n(CCOC)cc[n+]4C)c4ccc1[nH]4)C=C3)C=C2

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 6/20 0.43
▸ ABCG2 Q9UNQ0 1/20 0.34
▸ TOP1 P11387 1/20 0.32
▸ CYCS P99999 1/20 0.31

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
SCHEMBL3527817 0.86 TERT (0.39) TERTABCG2TOP1CYCS
Hydrochloric Acid SCHEMBL1410312 0.78 TERT (0.50) TERTTOP1CYCS
SCHEMBL29869092 0.69 TERT (0.49) TERTTOP1CYCS
SCHEMBL448020 0.69 TERT (0.49) TERTTOP1CYCS
SCHEMBL1517327 0.69 ABCG2 (0.53) TERTABCG2TOP1CYCS
SCHEMBL9998554 0.69 TERT (0.36) TERTABCG2TOP1CYCS
SCHEMBL451589 0.68 CA1 (0.41) TERT
SCHEMBL3521676 0.65 TERT (0.42) TERTABCG2TOP1CYCS
SCHEMBL3308268 0.64 ACHE (0.49) —
SCHEMBL1410057 0.64 TERT (0.47) TERTABCG2TOP1CYCS

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-8183364-B2 Substituted porphyrins DUKE UNIVERSITY (US) 2012-05-22 — — US disclosed
US-20100305083-A1 SUBSTITUTED PORPHYRINS BATINIC-HABERLE INES 2010-12-02 — — US disclosed
US-7807825-B2 Substituted porphyrins DUKE UNIVERSITY (US) 2010-10-05 — — US disclosed
US-20080021007-A1 Substituted Porphyrins NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-01-24 — — US disclosed
EP-1718201-A1 SUBSTITUTED PORPHYRINS Duke University (US) 2006-11-08 — — EP disclosed
WO-2005077269-A1 SUBSTITUTED PORPHYRINS DUKE UNIVERSITY (US) 2005-08-25 — — 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-20080021007-A1 Substituted Porphyrins SOD3, SOD1, PRDX3 TERT 1529/4885ABCG2 1325/4885TOP1 3229/4885
US-20100305083-A1 SUBSTITUTED PORPHYRINS SOD3, SOD1, PRDX3 TERT 1424/4885ABCG2 1434/4885TOP1 3024/4885

“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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