SCHEMBL1409929

SCHEMBL1409929

Cn1ccnc1C1=C2C=CC(=N2)C(c2ccc(F)cc2)=C2C=CC(=N2)C(c2nccn2C)=C2C=CC(=N2)C(c2ccc(F)cc2)=C2C=CC1=N2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.33
▸ HDAC4 P56524 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ POLB P06746 2/20 0.31
▸ NPSR1 Q6W5P4 2/20 0.31
▸ NAMPT P43490 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ BRD4 O60885 1/20 0.31
▸ PLK2 Q9NYY3 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ NFKB1 P19838 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ NFKB2 Q00653 1/20 0.30
▸ RELA Q04206 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ ADORA2A P29274 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 0.85 LPO (0.36) KDM4EL3MBTL1BRD4NPC1RAB9A
SCHEMBL1410169 0.79 SMN1; SMN2 (0.44) MAPK14HDAC4KDM4EGAAMAPT
SCHEMBL3462133 0.76 HDAC4 (0.46) MAPK14HDAC4KDM4EGAAMAPT
SCHEMBL9718812 0.69 HPGD (0.38) KDM4EALDH1A1POLBNPC1NFKB1
SCHEMBL8187863 0.65 NPC1 (0.40) MAPK14KDM4EGAAMAPTALDH1A1
SCHEMBL6493307 0.65 NPC1 (0.40) MAPK14KDM4EGAAMAPTALDH1A1
SCHEMBL2667056 0.64 MEN1 (0.52) KDM4EMAPTALDH1A1NPC1TP53
SCHEMBL3913647 0.63 NPC1 (0.43) KDM4EMAPTALDH1A1POLBL3MBTL1
SCHEMBL3912294 0.63 NPC1 (0.43) KDM4EMAPTALDH1A1POLBL3MBTL1
SCHEMBL7265567 0.63 CYP2D6 (0.33) HSD17B10

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 MAPK14 4496/4885HDAC4 3666/4885KDM4E 3901/4885
US-20150231150-A1 SUBSTITUTED PORPHYRINS PPOX, GPX4, PRDX5 MAPK14 4496/4885HDAC4 3666/4885KDM4E 3901/4885
US-20110065679-A1 Substituted Porphyrins PPOX, GPX4, PRDX5 MAPK14 4496/4885HDAC4 3666/4885KDM4E 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 MAPK14 2749/4885HDAC4 2564/4885KDM4E 4317/4885
US-20140011794-A1 SUBSTITUTED PORPHYRINS PPOX, GPX4, PRDX5 MAPK14 4496/4885HDAC4 3666/4885KDM4E 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 MAPK14 2016/4885HDAC4 1441/4885KDM4E 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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