SCHEMBL1410196

SCHEMBL1410196

CCn1ccnc1C1=C2C=CC(=N2)C(c2nccn2CC)=C2C=CC(=N2)C(c2nccn2CC)=C2C=CC(=N2)C(c2nccn2CC)=C2C=CC1=N2

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ADRA2A P08913 1/20 0.34
▸ ADRA2B P18089 1/20 0.34
▸ ADRA2C P18825 1/20 0.34
▸ MAPT P10636 1/20 0.31
▸ TLR8 Q9NR97 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
SCHEMBL1410107 0.77 LPO (0.36) —
SCHEMBL2936291 0.67 ALDH1A1 (0.46) ALDH1A1POLBKMT2AADRA2AADRA2B
SCHEMBL15769685 0.67 ALDH1A1 (0.50) ALDH1A1POLBKMT2AADRA2AADRA2B
Fluoride SCHEMBL28043451 0.66 KMT2A (0.59) ALDH1A1POLBKMT2AMAPT
SCHEMBL1409929 0.66 MAPK14 (0.33) ALDH1A1POLBMAPT
SCHEMBL12476463 0.66 KMT2A (0.40) ALDH1A1POLBKMT2AADRA2AADRA2B
SCHEMBL486434 0.65 — —
Hydrochloric Acid SCHEMBL5623003 0.65 CDK2 (0.32) —
SCHEMBL2793396 0.65 ESR1 (0.58) KMT2A
SCHEMBL14627758 0.65 ESR1 (0.42) ALDH1A1POLBKMT2AADRA2AADRA2B

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 14 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
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-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 (5 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 1430/4885POLB 1640/4885KMT2A 4619/4885
US-20150231150-A1 SUBSTITUTED PORPHYRINS PPOX, GPX4, PRDX5 ALDH1A1 1430/4885POLB 1640/4885KMT2A 4619/4885
US-20110065679-A1 Substituted Porphyrins PPOX, GPX4, PRDX5 ALDH1A1 1430/4885POLB 1640/4885KMT2A 4619/4885
US-20140011794-A1 SUBSTITUTED PORPHYRINS PPOX, GPX4, PRDX5 ALDH1A1 1430/4885POLB 1640/4885KMT2A 4619/4885
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 742/4885POLB 3171/4885KMT2A 4052/4885

“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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