SCHEMBL1410262

SCHEMBL1410262

COC(=O)c1ccc(C2=C3C=CC(=N3)C=C3C=CC(=N3)C(c3ccc(C(=O)OC)cc3)=C3C=CC(=N3)C(c3nccs3)=C3C=CC2=N3)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ SYK P43405 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ PTGS1 P23219 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ ABL1 P00519 2/20 0.32
▸ BCR P11274 2/20 0.32
▸ SETD7 Q8WTS6 1/20 0.32
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ HDAC3 O15379 1/20 0.31
▸ HDAC4 P56524 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC7 Q8WUI4 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31

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
SCHEMBL7261873 0.82 MAPT (0.38) ALDH1A1KDM4EHPGDMAPTKMT2A
SCHEMBL6910192 0.77 CA1 (0.46) ALDH1A1KDM4EHPGDMAPTKMT2A
SCHEMBL1410169 0.72 SMN1; SMN2 (0.44) ALDH1A1KDM4EHPGDMAPTKMT2A
SCHEMBL28930126 0.72 BCL2L1 (0.33) ALDH1A1KDM4ENPC1RAB9ATP53
SCHEMBL28349555 0.72 SETD7 (0.40) ALDH1A1KDM4EHPGDMAPTKMT2A
SCHEMBL6686810 0.72 TSHR (0.50) ALDH1A1KDM4EHPGDMAPTKMT2A
SCHEMBL19718104 0.72 TSHR (0.42) ALDH1A1KDM4EHPGDMAPTKMT2A
SCHEMBL29163406 0.72 NPC1 (0.38) ALDH1A1KDM4EHPGDGAANPC1
SCHEMBL28353822 0.72 TSHR (0.31) MAPTKMT2A
SCHEMBL3352615 0.71 KDM4E (0.53) ALDH1A1KDM4ESYKPTGS1MAPT

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 ALDH1A1 1430/4885KDM4E 3901/4885SYK 1277/4885
US-20150231150-A1 SUBSTITUTED PORPHYRINS PPOX, GPX4, PRDX5 ALDH1A1 1430/4885KDM4E 3901/4885SYK 1277/4885
US-20110065679-A1 Substituted Porphyrins PPOX, GPX4, PRDX5 ALDH1A1 1430/4885KDM4E 3901/4885SYK 1277/4885
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 ALDH1A1 749/4885KDM4E 4317/4885SYK 1685/4885
US-20140011794-A1 SUBSTITUTED PORPHYRINS PPOX, GPX4, PRDX5 ALDH1A1 1430/4885KDM4E 3901/4885SYK 1277/4885
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 ALDH1A1 742/4885KDM4E 4038/4885SYK 1161/4885

“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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