SCHEMBL1410123

SCHEMBL1410123

Cn1ccnc1-c1c2nc(cc3ccc([nH]3)c(-c3nccn3C)c3nc(cc4ccc1[nH]4)C=C3)C=C2

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.50
▸ STAT1 P42224 1/20 0.50
▸ 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
▸ PDE10A Q9Y233 1/20 0.33
▸ TERT O14746 3/20 0.31
▸ HTR2A P28223 1/20 0.30
▸ HTR2C P28335 1/20 0.30

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
SCHEMBL7717019 0.85 STAT3 (0.38) STAT3STAT1TERT
SCHEMBL7161173 0.84 STAT3 (0.38) STAT3STAT1TERT
SCHEMBL1410106 0.83 TERT (0.43) KDM4ECASP1CASP7HSD17B10L3MBTL1
SCHEMBL5574843 0.81 STAT3 (0.35) STAT3STAT1KDM4EHSD17B10
SCHEMBL27461774 0.78 KDM4E (0.37) STAT3STAT1KDM4ECASP1CASP7
SCHEMBL4359475 0.76 STAT3 (0.49) STAT3STAT1TERT
SCHEMBL1410075 0.75 STAT3 (0.48) STAT3STAT1TERT
SCHEMBL78903 0.74 STAT3 (0.56) STAT3STAT1TERT
SCHEMBL8689820 0.74 STAT3 (0.68) STAT3STAT1TERT
SCHEMBL1409926 0.73 TOP1 (0.44) TERT

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3983486-A1 SMALL CATIONIC ORTHO-5,15-DI-HETEROARYL-PORPHYRINS DERIVATIVES AND THEIR APPLICATIONS IN PHOTOINACTIVATION OF MICROORGANISMS Universidade de Coimbra (PT) 2022-04-20 — — EP disclosed
WO-2020250207-A1 SMALL CATIONIC ORTHO-5,15-DI-HETEROARYL-PORPHYRINS DERIVATIVES AND THEIR APPLICATIONS IN PHOTOINACTIVATION OF MICROORGANISMS UNIVERSIDADE DE COIMBRA (PT) 2020-12-17 — — WO disclosed
WO-2020250207-A1 SMALL CATIONIC ORTHO-5,15-DI-HETEROARYL-PORPHYRINS DERIVATIVES AND THEIR APPLICATIONS IN PHOTOINACTIVATION OF MICROORGANISMS UNIVERSIDADE DE COIMBRA (PT) 2020-12-17 — — WO 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-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-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 (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-20150231150-A1 SUBSTITUTED PORPHYRINS PPOX, GPX4, PRDX5 STAT3 892/4885STAT1 1589/4885KDM4E 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 STAT3 690/4885STAT1 941/4885KDM4E 4317/4885
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 STAT3 754/4885STAT1 561/4885KDM4E 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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