SCHEMBL1861250

SCHEMBL1861250

O=[N+]([O-])c1ccc(Oc2ccc(C3=C4C=CC(=N4)C=C4C=CC(=N4)C(c4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)=C4C=CC(=N4)C=C4C=CC3=N4)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSPB1 P04792 1/20 0.40
▸ SCN4A P35499 1/20 0.37
▸ MAPT P10636 6/20 0.36
▸ KMT2A Q03164 5/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MYOC Q99972 1/20 0.36
▸ CHEK2 O96017 3/20 0.35
▸ HTT P42858 2/20 0.35
▸ SRD5A2 P31213 1/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ LMNA P02545 5/20 0.33

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
SCHEMBL28665179 0.86 MAPK1 (0.37) MAPTKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL8186418 0.85 MAPT (0.38) MAPTKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL1863477 0.82 ALDH1A1 (0.37) MAPTKMT2AMEN1ALDH1A1CYP3A4
SCHEMBL28554886 0.81 MAPK1 (0.34) MAPTKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL28554190 0.78 MAPK1 (0.33) MAPTKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL26097426 0.78 APP (0.43) MAPTKMT2AMEN1ALDH1A1MAPK1
SCHEMBL8186752 0.77 LMNA (0.38) MAPTKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL14300174 0.76 CHEK2 (0.31) CHEK2
SCHEMBL10587139 0.73 MAPK1 (0.47) MAPTKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL8355907 0.73 MAPK1 (0.47) MAPTKMT2AMEN1ALDH1A1L3MBTL1

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
EP-1558616-B2 MESO-SUBSTITUTED PORPHYRINS MOLTENI & C (IT) 2011-08-24 — — EP claimed
JP-4751068-B2 — — 2011-08-17 — — JP claimed
EP-1558616-B1 MESO-SUBSTITUTED PORPHYRINS MOLTENI & C (IT) 2008-02-27 — — EP claimed
US-20060040914-A1 Meso-substituted porphyrins L. MOLTENI & C. DEI FRATELLI ALITTI SOCIETA DI ESERCIZIO S.P.A. (IT) 2006-02-23 — — US claimed
EP-1558616-A2 MESO-SUBSTITUTED PORPHYRINS L. MOLTENI & C. DEI FRATELLI ALITTI SOCIETA' DI ESERCIZIO SOCIETA' PER AZIONI (IT) 2005-08-03 — — EP claimed
WO-2004035590-A2 MESO-SUBSTITUTED PORPHYRINS L. MOLTENI & C. DEI FRATELLI ALITTI SOCIETA DI ESERCIZIO S.P.A (IT) 2004-04-29 — — WO claimed
US-8288528-B2 Meso-substituted porphyrins L. Molteni & C. Dei Fratelli Alitti—Società di Esercizio S.p.A. (IT) 2012-10-16 — — US disclosed
EP-1558616-B2 MESO-SUBSTITUTED PORPHYRINS MOLTENI & C (IT) 2011-08-24 — — EP disclosed
US-7947674-B2 Meso-substituted porphyrins L. Molteni & C. Dei Fratelli Alitti (IT) 2011-05-24 — — US disclosed
US-20110112464-A1 MESO-SUBSTITUTED PORPHYRINS L. MOLTENI & C. DEI FRATELLI ALITTI SOCIETA DI ESERCIZIO S.P.A. (IT) 2011-05-12 — — US disclosed
EP-1558616-B1 MESO-SUBSTITUTED PORPHYRINS MOLTENI & C (IT) 2008-02-27 — — EP disclosed
US-20060040914-A1 Meso-substituted porphyrins L. MOLTENI & C. DEI FRATELLI ALITTI SOCIETA DI ESERCIZIO S.P.A. (IT) 2006-02-23 — — US disclosed
EP-1558616-A2 MESO-SUBSTITUTED PORPHYRINS L. MOLTENI & C. DEI FRATELLI ALITTI SOCIETA' DI ESERCIZIO SOCIETA' PER AZIONI (IT) 2005-08-03 — — EP disclosed
WO-2004035590-A2 MESO-SUBSTITUTED PORPHYRINS L. MOLTENI & C. DEI FRATELLI ALITTI SOCIETA DI ESERCIZIO S.P.A (IT) 2004-04-29 — — WO 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 (1 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-20060040914-A1 Meso-substituted porphyrins PPOX, PPIF, ALAD HSPB1 723/4885SCN4A 4267/4885MAPT 963/4885

“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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