SCHEMBL1026476

SCHEMBL1026476

O=C(SNN=C(c1ccccn1)c1ccccn1)c1ccncc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.51
▸ NPC1 O15118 7/20 0.51
▸ KMT2A Q03164 5/20 0.51
▸ GAA P10253 5/20 0.51
▸ AGTR1 P30556 4/20 0.48
▸ NCOA1 Q15788 1/20 0.44
▸ NCOA3 Q9Y6Q9 1/20 0.44
▸ MEN1 O00255 3/20 0.43
▸ CES2 O00748 1/20 0.41
▸ CES1 P23141 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ LMNA P02545 4/20 0.40
▸ HTT P42858 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ NAPRT Q6XQN6 1/20 0.40
▸ P4HTM Q9NXG6 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL1026287 0.92 AGTR1 (0.57) RAB9ANPC1KMT2AGAAAGTR1
SCHEMBL1025876 0.88 RAB9A (0.52) RAB9ANPC1KMT2AGAAAGTR1
SCHEMBL1025210 0.86 AGTR1 (0.46) RAB9ANPC1KMT2AGAAAGTR1
SCHEMBL1026088 0.81 NPC1 (0.56) RAB9ANPC1KMT2AAGTR1NCOA1
SCHEMBL1025581 0.78 AGTR1 (0.76) RAB9ANPC1KMT2AGAAAGTR1
SCHEMBL15741867 0.74 RAB9A (0.65) RAB9ANPC1KMT2AAGTR1MEN1
SCHEMBL17842343 0.71 KDM4E (0.52) RAB9ANPC1KMT2AGAAAGTR1
SCHEMBL17842347 0.71 KDM4E (0.52) RAB9ANPC1KMT2AGAAAGTR1
SCHEMBL31135050 0.70 KMT2A (0.78) RAB9ANPC1KMT2AGAAMEN1
SCHEMBL16460100 0.70 KMT2A (0.78) RAB9ANPC1KMT2AGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2945629-A1 CHEMOTHERAPY FOR DRUG-RESISTANT CANCER CELLS ONCOCHEL THERAPEUTICS LLC (US) 2015-11-25 — — EP claimed
US-20150306081-A1 Chemotherapy for Drug-Resistant Cancer Cells Oncochel Therapeutics LLC (US) 2015-10-29 — — US claimed
WO-2014078898-A1 CHEMOTHERAPY FOR DRUG-RESISTANT CANCER CELLS THE UNIVERSITY OF SYDNEY (AU) 2014-05-30 — — WO claimed
EP-1608623-B1 METAL ION CHELATORS AND THERAPEUTIC USE THEREOF RICHARDSON DESI RAYMOND (AU) 2011-01-19 — — EP claimed
EP-2945629-A1 CHEMOTHERAPY FOR DRUG-RESISTANT CANCER CELLS ONCOCHEL THERAPEUTICS LLC (US) 2015-11-25 — — EP disclosed
US-20150306081-A1 Chemotherapy for Drug-Resistant Cancer Cells Oncochel Therapeutics LLC (US) 2015-10-29 — — US disclosed
WO-2014078898-A1 CHEMOTHERAPY FOR DRUG-RESISTANT CANCER CELLS THE UNIVERSITY OF SYDNEY (AU) 2014-05-30 — — WO disclosed
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 (2 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-20150306081-A1 Chemotherapy for Drug-Resistant Cancer Cells ABCC1, SLC47A1, ABCB1 RAB9A 1746/4885NPC1 201/4885KMT2A 2586/4885
US-20060252798-A1 Metal ion chelators and therapeutic use thereof SLC40A1, SLC30A6, SLC39A3 RAB9A 3737/4885NPC1 886/4885KMT2A 2237/4885

“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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