SCHEMBL1410167

SCHEMBL1410167

COC(=O)c1ccc(-c2c3nc(c(-c4nccn4C)c4ccc([nH]4)c(-c4ccc(C(=O)OC)cc4)c4nc(c(-c5nccn5C)c5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 1/20 0.57
▸ TOP1 P11387 4/20 0.51
▸ CYCS P99999 4/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ LMNA P02545 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ ENPP2 Q13822 1/20 0.41
▸ RHEB Q15382 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MMP8 P22894 1/20 0.39
▸ MMP13 P45452 1/20 0.39

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
Hydrochloric Acid SCHEMBL28130818 0.85 ABCG2 (0.68) ABCG2TOP1CYCSSMN1; SMN2LMNA
SCHEMBL29583274 0.85 ABCG2 (0.71) ABCG2TOP1CYCSSMN1; SMN2LMNA
SCHEMBL3892703 0.85 ABCG2 (0.71) ABCG2TOP1CYCSSMN1; SMN2LMNA
SCHEMBL28131499 0.84 ABCG2 (0.70) ABCG2TOP1CYCSSMN1; SMN2LMNA
SCHEMBL28463987 0.84 ABCG2 (0.70) ABCG2TOP1CYCSSMN1; SMN2LMNA
SCHEMBL28498163 0.84 ABCG2 (0.70) ABCG2TOP1CYCSSMN1; SMN2LMNA
SCHEMBL28491269 0.84 ABCG2 (0.70) ABCG2TOP1CYCSSMN1; SMN2LMNA
SCHEMBL30872331 0.84 ABCG2 (0.70) ABCG2TOP1CYCSSMN1; SMN2LMNA
SCHEMBL28130817 0.81 ABCG2 (0.67) ABCG2TOP1CYCSSMN1; SMN2LMNA
SCHEMBL1410106 0.81 TERT (0.43) ABCG2TOP1CYCSKDM4ETERT

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 33 patents — showing the first 20. 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-9289434-B2 Substituted porphyrins AEOLUS SCIENCES, INC. (US) 2016-03-22 — — US disclosed
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-20150231150-A1 SUBSTITUTED PORPHYRINS AEOLUS PHARMACEUTICALS INC. 2015-08-20 — — 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-8946202-B2 Substituted porphyrins AEOLUS SCIENCES, INC. (US) 2015-02-03 — — 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-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-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
US-7189707-B2 Substituted porphyrins NATIONAL JEWISH MEDICAL RESEARCH CENTER (US) 2007-03-13 — — US disclosed
EP-1616869-A1 Substituted porphyrins and their therapeutic use National Jewish Medical and Research Center (US) 2006-01-18 — — EP disclosed
EP-1155019-B1 SUBSTITUTED PORPHYRINS AND THEIR THERAPEUTIC USE NAT JEWISH MED & RES CENTER (US) 2005-12-07 — — EP disclosed
US-20040023941-A1 Modulating physiological and pathological processes and, in particular, to a method of modulating cellular levels of oxidants and thereby processes in which such oxidants are a participant. The invention also relates to compounds and NATIONAL JEWISH MEDICAL AND RESEARCH CENTER 2004-02-05 — — US disclosed
US-6544975-B1 Mimetics that inhibit lipid peroxidation; for use in the treatment of diseases or disorders mediated by oxidative stress, such as asthma, inflammatory bowel disease, arthritis and vasculitis. NATIONAL JEWISH MEDICAL AND RESEARCH CENTER 2003-04-08 — — 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 ABCG2 4005/4885TOP1 4291/4885CYCS 76/4885
US-20040023941-A1 Modulating physiological and pathological processes and, in particular, to a method of modulating cellular levels of oxidants and thereby processes in which such oxidants are a participant. The invention also relates to compounds and TXN2, PRDX5, GPX4 ABCG2 4598/4885TOP1 4748/4885CYCS 220/4885
US-20140011794-A1 SUBSTITUTED PORPHYRINS PPOX, GPX4, PRDX5 ABCG2 4005/4885TOP1 4291/4885CYCS 76/4885
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 ABCG2 4702/4885TOP1 3334/4885CYCS 294/4885

“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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