SCHEMBL1026088

SCHEMBL1026088

O=C(SNN=C(c1ccccn1)c1ccccn1)c1cccc(Br)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 8/20 0.56
▸ RAB9A P51151 7/20 0.56
▸ AGTR1 P30556 5/20 0.56
▸ OPRK1 P41145 3/20 0.56
▸ MEN1 O00255 4/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ PKM P14618 1/20 0.51
▸ HTT P42858 4/20 0.43
▸ LMNA P02545 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ KCNK3 O14649 1/20 0.43
▸ KCNK9 Q9NPC2 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ NCOA1 Q15788 1/20 0.43
▸ NCOA3 Q9Y6Q9 1/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ MITF O75030 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ POLB P06746 1/20 0.42

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 0.86 AGTR1 (0.57) NPC1RAB9AAGTR1OPRK1MEN1
SCHEMBL1026284 0.81 RAB9A (0.77) NPC1RAB9AAGTR1OPRK1MEN1
SCHEMBL1026476 0.81 RAB9A (0.51) NPC1RAB9AAGTR1OPRK1MEN1
SCHEMBL1025876 0.80 RAB9A (0.52) NPC1RAB9AAGTR1OPRK1MEN1
SCHEMBL1025210 0.79 AGTR1 (0.46) NPC1RAB9AAGTR1OPRK1MEN1
SCHEMBL7078280 0.74 KMT2A (0.66) NPC1RAB9AAGTR1OPRK1MEN1
SCHEMBL30659509 0.74 KMT2A (0.66) NPC1RAB9AAGTR1OPRK1MEN1
SCHEMBL28639316 0.72 TLR7 (0.71) NPC1RAB9AAGTR1OPRK1MEN1
SCHEMBL27178156 0.72 NPC1 (1.00) NPC1RAB9AAGTR1OPRK1MEN1
SCHEMBL30826084 0.72 NPC1 (1.00) NPC1RAB9AAGTR1OPRK1MEN1

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 NPC1 201/4885RAB9A 1746/4885AGTR1 1610/4885
US-20060252798-A1 Metal ion chelators and therapeutic use thereof SLC40A1, SLC30A6, SLC39A3 NPC1 886/4885RAB9A 3737/4885AGTR1 2794/4885

“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.

Send feedback