SCHEMBL1026287

SCHEMBL1026287

O=C(SNN=C(c1ccccn1)c1ccccn1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 4/20 0.57
▸ RAB9A P51151 4/20 0.52
▸ NCOA3 Q9Y6Q9 2/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ NCOA1 Q15788 1/20 0.52
▸ KMT2A Q03164 5/20 0.50
▸ KDM4E B2RXH2 5/20 0.48
▸ LMNA P02545 5/20 0.47
▸ HTT P42858 5/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ TDP1 Q9NUW8 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ HPGD P15428 3/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ GAA P10253 2/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ KCNK3 O14649 1/20 0.47
▸ KCNK9 Q9NPC2 1/20 0.47
▸ NAPRT Q6XQN6 1/20 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
SCHEMBL1026476 0.92 RAB9A (0.51) AGTR1RAB9ANCOA3NPC1NCOA1
SCHEMBL1025876 0.90 RAB9A (0.52) AGTR1RAB9ANCOA3NPC1NCOA1
SCHEMBL1025210 0.89 AGTR1 (0.46) AGTR1RAB9ANCOA3NPC1NCOA1
SCHEMBL1026088 0.86 NPC1 (0.56) AGTR1RAB9ANCOA3NPC1NCOA1
SCHEMBL1028452 0.77 AGTR1 (0.91) AGTR1RAB9ANCOA3NPC1NCOA1
SCHEMBL15741850 0.73 AGTR1 (1.00) AGTR1RAB9ANCOA3NPC1NCOA1
SCHEMBL27178069 0.73 AGTR1 (1.00) AGTR1RAB9ANCOA3NPC1NCOA1
SCHEMBL12720823 0.73 AGTR1 (0.88) AGTR1RAB9ANCOA3NPC1NCOA1
SCHEMBL12720802 0.71 AGTR1 (0.71) AGTR1RAB9ANCOA3NPC1NCOA1
SCHEMBL31690656 0.71 AGTR1 (0.70) 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 9 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
US-20060252798-A1 Metal ion chelators and therapeutic use thereof RICHARDSON, DESI (AU) 2006-11-09 — — US 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 AGTR1 1610/4885RAB9A 1746/4885NCOA3 289/4885
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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