SCHEMBL5013753

SCHEMBL5013753

Brc1ccc(-c2c3nc(cc4ccc([nH]4)c(-c4ccc(Br)cc4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.68
▸ STAT1 P42224 1/20 0.68
▸ TOP1 P11387 4/20 0.42
▸ CYCS P99999 3/20 0.41
▸ ENPP2 Q13822 1/20 0.40
▸ TERT O14746 4/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.36
▸ MAPK13 O15264 1/20 0.34
▸ GCGR P47871 1/20 0.34
▸ MAPK12 P53778 1/20 0.34
▸ MAPK11 Q15759 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ MMP2 P08253 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ MMP8 P22894 1/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ NR1I3 Q14994 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
SCHEMBL5015307 0.97 STAT3 (0.64) STAT3STAT1TOP1CYCSENPP2
SCHEMBL5013690 0.96 STAT3 (0.62) STAT3STAT1TOP1CYCSENPP2
SCHEMBL26285585 0.89 STAT3 (0.55) STAT3STAT1TOP1CYCSENPP2
SCHEMBL30358238 0.85 STAT3 (0.68) STAT3STAT1TOP1CYCSENPP2
SCHEMBL585640 0.85 STAT3 (0.68) STAT3STAT1TOP1CYCSENPP2
SCHEMBL30358237 0.85 STAT3 (0.68) STAT3STAT1TOP1CYCSENPP2
SCHEMBL8689820 0.85 STAT3 (0.68) STAT3STAT1TOP1CYCSENPP2
SCHEMBL3557943 0.85 STAT3 (0.68) STAT3STAT1TOP1CYCSENPP2
SCHEMBL336198 0.85 STAT3 (0.51) STAT3STAT1TOP1CYCSENPP2
SCHEMBL2563180 0.85 STAT3 (0.91) 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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