SCHEMBL5013660

SCHEMBL5013660

C1=Cc2nc1c(-c1ccc(Nc3ccccc3)cc1)c1ccc([nH]1)c(-c1ccc(Nc3ccccc3)cc1)c1nc(c(-c3ccc(Nc4ccccc4)cc3)c3ccc([nH]3)c2-c2ccc(Nc3ccccc3)cc2)C=C1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 4/20 0.56
▸ CYCS P99999 3/20 0.55
▸ TERT O14746 4/20 0.50
▸ ENPP2 Q13822 1/20 0.50
▸ STAT3 P40763 1/20 0.49
▸ STAT1 P42224 1/20 0.49
▸ ABCG2 Q9UNQ0 1/20 0.47

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
SCHEMBL5013009 0.86 STAT3 (0.49) TOP1CYCSTERTENPP2STAT3
SCHEMBL5134837 0.85 STAT3 (0.48) TOP1CYCSTERTENPP2STAT3
SCHEMBL27674814 0.84 TOP1 (0.54) TOP1CYCSTERTENPP2STAT3
SCHEMBL16552330 0.84 TOP1 (0.54) TOP1CYCSTERTENPP2STAT3
SCHEMBL30136 0.84 TOP1 (0.64) TOP1CYCSTERTENPP2STAT3
SCHEMBL29405434 0.84 TOP1 (0.64) TOP1CYCSTERTENPP2STAT3
SCHEMBL5013925 0.83 STAT3 (0.71) TOP1CYCSTERTENPP2STAT3
SCHEMBL15085674 0.83 TOP1 (0.62) TOP1CYCSTERTENPP2STAT3
SCHEMBL991489 0.83 TOP1 (0.62) TOP1CYCSTERTENPP2STAT3
SCHEMBL7987113 0.83 TOP1 (0.62) TOP1CYCSTERTENPP2STAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7417142-B2 Chiral porphyrins, chiral metalloporphyrins, and methods for synthesis of the same THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION, INC. (US) 2008-08-26 — — US disclosed
US-20060030718-A1 Cobalt-based catalysts for the cyclization of alkenes UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2006-02-09 — — US disclosed
US-6951935-B2 Heteroatom-substituted porphyrins and methods for synthesis of same UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2005-10-04 — — US disclosed
US-20050124596-A1 Chiral porphyrins, chiral metalloporphyrins, and methods for synthesis of the same UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2005-06-09 — — US disclosed
US-20030236400-A1 Heteroatom-substituted porphyrins and methods for synthesis of same UNIVERSITY OF TENNESSEE RESEARCH CORPORATION 2003-12-25 — — 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 (3 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-20060030718-A1 Cobalt-based catalysts for the cyclization of alkenes PPOX, HCCS, ICOSLG TOP1 1268/4885CYCS 6/4885TERT 645/4885
US-20030236400-A1 Heteroatom-substituted porphyrins and methods for synthesis of same PPOX, HMBS, UROD TOP1 3026/4885CYCS 19/4885TERT 2629/4885
US-20050124596-A1 Chiral porphyrins, chiral metalloporphyrins, and methods for synthesis of the same PPOX, PPIF, HMBS TOP1 1564/4885CYCS 57/4885TERT 1385/4885

“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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