SCHEMBL5013925

SCHEMBL5013925

C1=Cc2nc1cc1ccc([nH]1)c(-c1ccc(Nc3ccccc3)cc1)c1nc(cc3ccc([nH]3)c2-c2ccc(Nc3ccccc3)cc2)C=C1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.71
▸ STAT1 P42224 1/20 0.71
▸ TOP1 P11387 4/20 0.41
▸ CYCS P99999 3/20 0.40
▸ DHODH Q02127 1/20 0.38
▸ ENPP2 Q13822 1/20 0.36
▸ TERT O14746 2/20 0.36
▸ ABCG2 Q9UNQ0 1/20 0.35
▸ MAPK10 P53779 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ LRRK2 Q5S007 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ AXL P30530 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ PTGS1 P23219 1/20 0.33

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
SCHEMBL2563180 0.88 STAT3 (0.91) STAT3STAT1TOP1CYCSENPP2
SCHEMBL5013193 0.87 STAT3 (0.67) STAT3STAT1TOP1CYCSENPP2
SCHEMBL30608144 0.86 STAT3 (0.89) STAT3STAT1TOP1CYCSENPP2
Zinc Ion SCHEMBL30574155 0.86 STAT3 (0.89) STAT3STAT1TOP1CYCSENPP2
SCHEMBL29459724 0.86 STAT3 (0.89) STAT3STAT1TOP1CYCSENPP2
SCHEMBL31127547 0.86 STAT3 (0.89) STAT3STAT1TOP1CYCSENPP2
SCHEMBL28908470 0.86 STAT3 (0.89) STAT3STAT1TOP1CYCSENPP2
SCHEMBL31127545 0.86 STAT3 (0.89) STAT3STAT1TOP1CYCSENPP2
SCHEMBL30574152 0.86 STAT3 (0.89) STAT3STAT1TOP1CYCSENPP2
SCHEMBL26073065 0.86 STAT3 (0.89) STAT3STAT1TOP1CYCSENPP2

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 STAT3 3817/4885STAT1 4312/4885TOP1 1268/4885
US-20030236400-A1 Heteroatom-substituted porphyrins and methods for synthesis of same PPOX, HMBS, UROD STAT3 4156/4885STAT1 3973/4885TOP1 3026/4885
US-20050124596-A1 Chiral porphyrins, chiral metalloporphyrins, and methods for synthesis of the same PPOX, PPIF, HMBS STAT3 2986/4885STAT1 3579/4885TOP1 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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