SCHEMBL1024264

SCHEMBL1024264

O=C(NN=C(c1ccccn1)c1ccccn1)N(c1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 4/20 0.58
▸ RAB9A P51151 4/20 0.50
▸ NCOA3 Q9Y6Q9 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ NCOA1 Q15788 1/20 0.50
▸ LMNA P02545 7/20 0.48
▸ SMN1; SMN2 Q16637 7/20 0.48
▸ HTT P42858 5/20 0.48
▸ TDP1 Q9NUW8 4/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ MAPT P10636 2/20 0.48
▸ NAPRT Q6XQN6 1/20 0.47
▸ P4HTM Q9NXG6 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ KMT2A Q03164 4/20 0.46
▸ NPSR1 Q6W5P4 3/20 0.46
▸ MITF O75030 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ HPGD P15428 2/20 0.46

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
SCHEMBL12720802 0.79 AGTR1 (0.71) AGTR1RAB9ANCOA3NPC1NCOA1
SCHEMBL1028452 0.78 AGTR1 (0.91) AGTR1RAB9ANCOA3NPC1NCOA1
SCHEMBL12955841 0.78 AGTR1 (0.60) AGTR1RAB9ANCOA3NPC1NCOA1
SCHEMBL2848952 0.75 LMNA (0.59) AGTR1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL12720825 0.75 AGTR1 (0.66) AGTR1RAB9ANCOA3NPC1NCOA1
SCHEMBL12955729 0.75 LMNA (0.75) AGTR1RAB9ANCOA3NPC1NCOA1
SCHEMBL15741850 0.74 AGTR1 (1.00) AGTR1RAB9ANCOA3NPC1NCOA1
SCHEMBL12720823 0.74 AGTR1 (0.88) AGTR1RAB9ANCOA3NPC1NCOA1
SCHEMBL27178069 0.74 AGTR1 (1.00) AGTR1RAB9ANCOA3NPC1NCOA1
SCHEMBL31690659 0.74 TOP2A (0.59) AGTR1RAB9ANCOA3NPC1NCOA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1608623-B1 METAL ION CHELATORS AND THERAPEUTIC USE THEREOF RICHARDSON DESI RAYMOND (AU) 2011-01-19 — — EP disclosed
EP-1608623-A4 METAL ION CHELATORS AND THERAPEUTIC USE THEREOF NEWSOUTH INNOVATIONS PTY LTD (AU) 2007-07-18 — — EP disclosed
US-20060252798-A1 Metal ion chelators and therapeutic use thereof RICHARDSON, DESI (AU) 2006-11-09 — — US disclosed
EP-1608623-A1 METAL ION CHELATORS AND THERAPEUTIC USE THEREOF UNISEARCH LIMITED (AU) 2005-12-28 — — EP disclosed
WO-2004069801-A1 METAL ION CHELATORS AND THERAPEUTIC USE THEREOF UNISEARCH LIMITED (AU) 2004-08-19 — — 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-20060252798-A1 Metal ion chelators and therapeutic use thereof SLC40A1, SLC30A6, SLC39A3 AGTR1 2794/4885RAB9A 3737/4885NCOA3 863/4885

“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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