SCHEMBL12836952

SCHEMBL12836952

Cn1ccnc1-c1c2nc(c(C(F)(F)F)c3ccc([nH]3)c(-c3nccn3C)c3nc(c(C(F)(F)F)c4ccc1[nH]4)C=C3)C=C2

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ TERT O14746 5/20 0.35
▸ TOP1 P11387 2/20 0.33
▸ ABCG2 Q9UNQ0 1/20 0.32
▸ CYCS P99999 1/20 0.32

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
SCHEMBL12763748 0.95 KDM4E (0.36) KDM4ECASP1CASP7HSD17B10L3MBTL1
SCHEMBL10314951 0.91 KDM4E (0.31) KDM4ECASP1CASP7HSD17B10L3MBTL1
SCHEMBL1410106 0.88 TERT (0.43) KDM4ECASP1CASP7HSD17B10L3MBTL1
SCHEMBL1409926 0.80 TOP1 (0.44) TERTTOP1ABCG2CYCS
SCHEMBL17018807 0.79 KDM4E (0.38) KDM4ECASP1CASP7HSD17B10L3MBTL1
SCHEMBL8001501 0.76 TERT (0.37) TERTTOP1CYCS
SCHEMBL10314954 0.75 TOP1 (0.43) KDM4ECASP1CASP7HSD17B10L3MBTL1
SCHEMBL1410123 0.73 STAT3 (0.50) KDM4ECASP1CASP7HSD17B10L3MBTL1
SCHEMBL1410192 0.73 TERT (0.46) TERTTOP1ABCG2CYCS
SCHEMBL7717047 0.73 TERT (0.37) KDM4ECASP1CASP7HSD17B10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9289434-B2 Substituted porphyrins AEOLUS SCIENCES, INC. (US) 2016-03-22 — — US disclosed
US-20150231150-A1 SUBSTITUTED PORPHYRINS AEOLUS PHARMACEUTICALS INC. 2015-08-20 — — US disclosed
US-8946202-B2 Substituted porphyrins AEOLUS SCIENCES, INC. (US) 2015-02-03 — — US disclosed
US-20140011794-A1 SUBSTITUTED PORPHYRINS Aeouls Sciences, Inc. (US) 2014-01-09 — — US disclosed
US-20110065679-A1 Substituted Porphyrins AEOLUS PHARMACEUTICALS, INC. (US) 2011-03-17 — — US disclosed
US-7820644-B2 Substituted porphyrins Aelous Pharmaceuticals, Inc. (US) 2010-10-26 — — US disclosed
US-7820644-B2 Substituted porphyrins Aelous Pharmaceuticals, Inc. (US) 2010-10-26 — — US disclosed
US-20070197496-A1 for modulating cellular levels of oxidants such as superoxide radicals, hydrogen peroxide, peroxynitrite, lipid peroxides, hydroxyl radicals and thiyl radicals, treating diabetes mellitus Type I or Type II NATIONAL JEWISH MEDICAL AND RESEARCH CENTER 2007-08-23 — — US disclosed
US-20070197496-A1 for modulating cellular levels of oxidants such as superoxide radicals, hydrogen peroxide, peroxynitrite, lipid peroxides, hydroxyl radicals and thiyl radicals, treating diabetes mellitus Type I or Type II NATIONAL JEWISH MEDICAL AND RESEARCH CENTER 2007-08-23 — — US disclosed
US-7189707-B2 Substituted porphyrins NATIONAL JEWISH MEDICAL RESEARCH CENTER (US) 2007-03-13 — — US disclosed
US-7189707-B2 Substituted porphyrins NATIONAL JEWISH MEDICAL RESEARCH CENTER (US) 2007-03-13 — — 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 (4 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-20150231150-A1 SUBSTITUTED PORPHYRINS PPOX, GPX4, PRDX5 KDM4E 3901/4885CASP1 823/4885CASP7 929/4885
US-20110065679-A1 Substituted Porphyrins PPOX, GPX4, PRDX5 KDM4E 3901/4885CASP1 823/4885CASP7 929/4885
US-20140011794-A1 SUBSTITUTED PORPHYRINS PPOX, GPX4, PRDX5 KDM4E 3901/4885CASP1 823/4885CASP7 929/4885
US-20070197496-A1 for modulating cellular levels of oxidants such as superoxide radicals, hydrogen peroxide, peroxynitrite, lipid peroxides, hydroxyl radicals and thiyl radicals, treating diabetes mellitus Type I or Type II GPX4, LPO, TXNRD2 KDM4E 4038/4885CASP1 1140/4885CASP7 1535/4885

“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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