SCHEMBL1410169

SCHEMBL1410169

COC(=O)c1ccc(C2=C3C=CC(=N3)C(c3nccn3C)=C3C=CC(=N3)C(c3ccc(C(=O)OC)cc3)=C3C=CC(=N3)C(c3nccn3C)=C3C=CC2=N3)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ ALDH1A1 P00352 6/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ LMNA P02545 2/20 0.39
▸ MAPT P10636 5/20 0.38
▸ GAA P10253 3/20 0.38
▸ HPGD P15428 2/20 0.37
▸ SETD7 Q8WTS6 1/20 0.37
▸ RGS12 O14924 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA2B P29275 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ NFKB1 P19838 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ NFKB2 Q00653 2/20 0.36
▸ RELA Q04206 2/20 0.36
▸ PKM P14618 1/20 0.36
▸ MEN1 O00255 1/20 0.35

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
SCHEMBL6910192 0.84 CA1 (0.46) SMN1; SMN2ALDH1A1KDM4ELMNAMAPT
SCHEMBL7845741 0.80 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1KDM4ELMNAMAPT
SCHEMBL1409929 0.79 MAPK14 (0.33) ALDH1A1KDM4EMAPTGAAADORA2A
SCHEMBL19718104 0.79 TSHR (0.42) SMN1; SMN2ALDH1A1KDM4ELMNAMAPT
SCHEMBL6686810 0.79 TSHR (0.50) SMN1; SMN2ALDH1A1KDM4ELMNAMAPT
SCHEMBL1410107 0.78 LPO (0.36) KDM4EADORA2ANPC1RAB9APKM
SCHEMBL1517330 0.78 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1KDM4ELMNAMAPT
SCHEMBL80100 0.75 TDP1 (0.42) SMN1; SMN2ALDH1A1KDM4ELMNAMAPT
SCHEMBL1410262 0.72 ALDH1A1 (0.36) ALDH1A1KDM4ELMNAMAPTGAA
SCHEMBL7261873 0.72 MAPT (0.38) SMN1; SMN2ALDH1A1KDM4ELMNAMAPT

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 16 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-8546562-B2 Substituted porphyrins DUKE UNIVERSITY 2013-10-01 — — US disclosed
US-20120214780-A1 SUBSTITUTED PORPHYRINS AEOLUS SCIENCES, INC. (US) 2012-08-23 — — US disclosed
US-8217026-B2 Substituted porphyrins AEOLUS SCIENCES, INC. (US) 2012-07-10 — — US disclosed
US-20110065679-A1 Substituted Porphyrins AEOLUS PHARMACEUTICALS, INC. (US) 2011-03-17 — — US disclosed
EP-2295435-A1 Substituted porphyrins and their therapeutic use National Jewish Health (US) 2011-03-16 — — EP 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-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 (6 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-20120214780-A1 SUBSTITUTED PORPHYRINS PPOX, GPX4, PRDX5 SMN1; SMN2 2445/4885ALDH1A1 1430/4885KDM4E 3901/4885
US-20150231150-A1 SUBSTITUTED PORPHYRINS PPOX, GPX4, PRDX5 SMN1; SMN2 2445/4885ALDH1A1 1430/4885KDM4E 3901/4885
US-20110065679-A1 Substituted Porphyrins PPOX, GPX4, PRDX5 SMN1; SMN2 2445/4885ALDH1A1 1430/4885KDM4E 3901/4885
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 SMN1; SMN2 2063/4885ALDH1A1 749/4885KDM4E 4317/4885
US-20140011794-A1 SUBSTITUTED PORPHYRINS PPOX, GPX4, PRDX5 SMN1; SMN2 2445/4885ALDH1A1 1430/4885KDM4E 3901/4885
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 SMN1; SMN2 3698/4885ALDH1A1 742/4885KDM4E 4038/4885

“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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