SCHEMBL6071532

SCHEMBL6071532

C1=Cc2cc3cc(-c4ccccn4)c(cc4nc(cc5ccc(cc1n2)[nH]5)C=C4)[nH]3.[Mn]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.40
▸ PKM P14618 5/20 0.40
▸ RAB9A P51151 5/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ LMNA P02545 3/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ METAP2 P50579 9/20 0.40
▸ METAP1 P53582 8/20 0.40
▸ HPGD P15428 2/20 0.40
▸ MTOR P42345 1/20 0.40
▸ CBFB Q13951 9/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ STAT3 P40763 1/20 0.38
▸ STAT1 P42224 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ ALPL P05186 1/20 0.38

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
SCHEMBL460723 0.99 NPC1 (0.41) NPC1PKMRAB9ASMN1; SMN2LMNA
SCHEMBL31678981 0.97 NPC1 (0.40) NPC1PKMRAB9ASMN1; SMN2LMNA
SCHEMBL28446738 0.97 NPC1 (0.40) NPC1PKMRAB9ASMN1; SMN2LMNA
SCHEMBL31229487 0.97 NPC1 (0.40) NPC1PKMRAB9ASMN1; SMN2LMNA
Iodide SCHEMBL11325081 0.97 NPC1 (0.40) NPC1PKMRAB9ASMN1; SMN2LMNA
SCHEMBL28757530 0.97 NPC1 (0.40) NPC1PKMRAB9ASMN1; SMN2LMNA
Iodide SCHEMBL11338884 0.96 NPC1 (0.40) NPC1PKMRAB9ASMN1; SMN2LMNA
Bromide SCHEMBL11343585 0.96 NPC1 (0.40) NPC1PKMRAB9ASMN1; SMN2LMNA
SCHEMBL28268017 0.88 AURKA (0.45) NPC1PKMRAB9ASMN1; SMN2LMNA
Dipyridyl SCHEMBL28203643 0.87 METAP1 (0.48) NPC1PKMRAB9ASMN1; SMN2LMNA

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190330220-A1 METHODS OF MAKING SUBSTITUTED PORPHYRIN PHARMACEUTICAL COMPOUNDS AND COMPOSITIONS ALBANY MOLECULAR RESEARCH, INC. 2019-10-31 — — US claimed
EP-3558902-A1 METHODS OF MAKING SUBSTITUTED PORPHYRIN PHARMACEUTICAL COMPOUNDS AND COMPOSITIONS Duke University (US) 2019-10-30 — — EP claimed
WO-2018118891-A1 METHODS OF MAKING SUBSTITUTED PORPHYRIN PHARMACEUTICAL COMPOUNDS AND COMPOSITIONS DUKE UNIVERSITY (US) 2018-06-28 — — WO claimed
US-20190330220-A1 METHODS OF MAKING SUBSTITUTED PORPHYRIN PHARMACEUTICAL COMPOUNDS AND COMPOSITIONS ALBANY MOLECULAR RESEARCH, INC. 2019-10-31 — — US disclosed
EP-3558902-A1 METHODS OF MAKING SUBSTITUTED PORPHYRIN PHARMACEUTICAL COMPOUNDS AND COMPOSITIONS Duke University (US) 2019-10-30 — — EP disclosed
WO-2018118891-A1 METHODS OF MAKING SUBSTITUTED PORPHYRIN PHARMACEUTICAL COMPOUNDS AND COMPOSITIONS DUKE UNIVERSITY (US) 2018-06-28 — — WO disclosed
US-20060199792-A1 Peroxynitrite decomposition catalysts and methods of use thereof TRUSTEES OF PRINCETON UNIVERSITY 2006-09-07 — — US disclosed
US-6969707-B2 Peroxynitrite decomposition catalysts and methods of use thereof TRUSTEES OF PRINCETON UNIVERSITY (US) 2005-11-29 — — US disclosed
US-20030055032-A1 Peroxynitrite decomposition catalysts and methods of use thereof NATIONAL INSTITUTES OF HEALTH 2003-03-20 — — US disclosed
US-6448239-B1 PORPHYRIN RING METALLIC COMPLEXES THAT ARE EFFECTIVE PEROXYNITRITE DECOMPOSITION CATALYSTS FOR TREATMENT OF DISEASES INVOLVING THE ACCUMULATION OF THIS OXIDANT, SUCH AS ALTZEIMER'S DISEASE TRUSTEES OF PRINCETON UNIVERSITY 2002-09-10 — — US disclosed
WO-2000075144-A9 PEROXYNITRITE DECOMPOSITION CATALYSTS AND METHODS OF USE THEREOF UNIV PRINCETON (US) 2002-07-11 — — WO disclosed
EP-1185532-A1 PEROXYNITRITE DECOMPOSITION CATALYSTS AND METHODS OF USE THEREOF The Trustees of Princeton University (US) 2002-03-13 — — EP disclosed
WO-2000075144-A2 PEROXYNITRITE DECOMPOSITION CATALYSTS AND METHODS OF USE THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2000-12-14 — — 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 (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-20030055032-A1 Peroxynitrite decomposition catalysts and methods of use thereof NOX3, MPO, CAT NPC1 1487/4885PKM 522/4885RAB9A 4360/4885
US-20190330220-A1 METHODS OF MAKING SUBSTITUTED PORPHYRIN PHARMACEUTICAL COMPOUNDS AND COMPOSITIONS PPOX, HMBS, CYP3A43 NPC1 456/4885PKM 571/4885RAB9A 3384/4885
US-20060199792-A1 Peroxynitrite decomposition catalysts and methods of use thereof NOX3, MPO, CAT NPC1 1487/4885PKM 522/4885RAB9A 4360/4885

“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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