SCHEMBL5135317

SCHEMBL5135317

FC(F)(F)c1ccc(Nc2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(Nc4ccc(C(F)(F)F)cc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1.[Zn]

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 2/20 0.41
▸ STAT3 P40763 1/20 0.41
▸ STAT1 P42224 1/20 0.41
▸ TOP1 P11387 2/20 0.40
▸ CYCS P99999 3/20 0.40
▸ TERT O14746 2/20 0.39
▸ BRAF P15056 1/20 0.38
▸ KCNH3 Q9ULD8 1/20 0.37
▸ NPBWR1 P48145 1/20 0.36
▸ ENPP2 Q13822 1/20 0.36
▸ MAPK13 O15264 1/20 0.36
▸ RAF1 P04049 1/20 0.36
▸ MAPK12 P53778 1/20 0.36
▸ MAPK11 Q15759 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ KDM1A O60341 1/20 0.36

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
SCHEMBL5134837 0.88 STAT3 (0.48) ABCG2STAT3STAT1TOP1CYCS
SCHEMBL5013009 0.86 STAT3 (0.49) ABCG2STAT3STAT1TOP1CYCS
SCHEMBL16604343 0.82 TOP1 (0.51) STAT3STAT1TOP1CYCSTERT
SCHEMBL5134290 0.81 KMT2A (0.46) ABCG2STAT3STAT1TOP1CYCS
SCHEMBL5134205 0.81 STAT3 (0.43) ABCG2STAT3STAT1TOP1CYCS
SCHEMBL15085693 0.79 TOP1 (0.56) ABCG2TOP1CYCSTERTENPP2
SCHEMBL5133621 0.77 STAT3 (0.66) ABCG2STAT3STAT1TOP1CYCS
Hydrochloric Acid SCHEMBL31547368 0.77 TOP1 (0.57) ABCG2TOP1CYCSTERTENPP2
SCHEMBL5013660 0.77 TOP1 (0.56) ABCG2STAT3STAT1TOP1CYCS
SCHEMBL29502817 0.76 KDM1A (0.44) TOP1KDM1A

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 ABCG2 4619/4885STAT3 3817/4885STAT1 4312/4885
US-20030236400-A1 Heteroatom-substituted porphyrins and methods for synthesis of same PPOX, HMBS, UROD ABCG2 1640/4885STAT3 4156/4885STAT1 3973/4885
US-20050124596-A1 Chiral porphyrins, chiral metalloporphyrins, and methods for synthesis of the same PPOX, PPIF, HMBS ABCG2 3295/4885STAT3 2986/4885STAT1 3579/4885

“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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