SCHEMBL1410107

SCHEMBL1410107

Cn1ccnc1C1=C2C=CC(=N2)C(c2nccn2C)=C2C=CC(=N2)C(c2nccn2C)=C2C=CC(=N2)C(c2nccn2C)=C2C=CC1=N2

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LPO P22079 1/20 0.36
▸ BRD4 O60885 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CASP1 P29466 1/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ ADORA2A P29274 1/20 0.30
▸ ADORA1 P30542 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
SCHEMBL1410169 0.78 SMN1; SMN2 (0.44) KDM4ENPC1PKMRAB9AHSD17B10
SCHEMBL308400 0.72 LPO (0.55) LPOBRD4KDM4ENPC1PKM
SCHEMBL31153305 0.70 LPO (0.52) LPOBRD4KDM4ENPC1PKM
Hydrochloric Acid SCHEMBL1806963 0.70 LPO (0.52) LPOBRD4KDM4ENPC1PKM
Hydrochloric Acid SCHEMBL1410315 0.67 HDAC8 (0.37) L3MBTL1
SCHEMBL599433 0.67 CCR1 (0.57) KDM4ENPC1PKMRAB9AHSD17B10
SCHEMBL7538292 0.65 — —
SCHEMBL13052883 0.65 LPO (0.46) LPOBRD4KDM4ENPC1PKM
SCHEMBL30420079 0.65 LPO (0.46) LPOBRD4KDM4ENPC1PKM
SCHEMBL23370195 0.63 KDM4E (0.46) LPOBRD4KDM4ENPC1PKM

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 19 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-20130189347-A1 DISEASE TREATMENT DRUG YUASA MAKOTO (JP) 2013-07-25 — — US disclosed
EP-2601954-A1 THERAPEUTIC AGENT FOR DISEASE Yuasa, Makoto (JP) 2013-06-12 — — EP 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-20050008687-A1 Metal-porphyrin-complex-embedded liposomes, production process thereof, and medicines making use of the same MAKOTO YUASA (JP) 2005-01-13 — — US 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 (8 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-20130189347-A1 DISEASE TREATMENT DRUG PPOX, TFRC, SLC40A1 LPO 32/4885BRD4 4029/4885KDM4E 3020/4885
US-20120214780-A1 SUBSTITUTED PORPHYRINS PPOX, GPX4, PRDX5 LPO 4/4885BRD4 3933/4885KDM4E 3901/4885
US-20150231150-A1 SUBSTITUTED PORPHYRINS PPOX, GPX4, PRDX5 LPO 4/4885BRD4 3933/4885KDM4E 3901/4885
US-20110065679-A1 Substituted Porphyrins PPOX, GPX4, PRDX5 LPO 4/4885BRD4 3933/4885KDM4E 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 LPO 4/4885BRD4 3749/4885KDM4E 4317/4885
US-20140011794-A1 SUBSTITUTED PORPHYRINS PPOX, GPX4, PRDX5 LPO 4/4885BRD4 3933/4885KDM4E 3901/4885
US-20050008687-A1 Metal-porphyrin-complex-embedded liposomes, production process thereof, and medicines making use of the same GPX4, FECH, PPOX LPO 8/4885BRD4 4171/4885KDM4E 2437/4885
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 LPO 2/4885BRD4 4017/4885KDM4E 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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