SCHEMBL5839656

SCHEMBL5839656

[O]C(=O)c1ccc(CN2CCOCC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.66
HRH3 Q9Y5N1 5/20 0.62
HIF1A Q16665 3/20 0.61
EPAS1 Q99814 3/20 0.61
NPC1 O15118 4/20 0.59
RAB9A P51151 3/20 0.59
ALDH1A1 P00352 1/20 0.59
KDM4E B2RXH2 1/20 0.59
KMT2A Q03164 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58

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
SCHEMBL8027548 0.88 HPGD (0.68) HPGDHRH3HIF1AEPAS1NPC1
SCHEMBL18413640 0.86 HPGD (0.66) HPGDHRH3HIF1AEPAS1NPC1
SCHEMBL1177221 0.86 HPGD (0.66) HPGDHRH3HIF1AEPAS1NPC1
SCHEMBL426993 0.86 HPGD (0.66) HPGDHRH3HIF1AEPAS1NPC1
Hydrochloric Acid SCHEMBL27789112 0.86 HPGD (0.66) HPGDHRH3HIF1AEPAS1NPC1
SCHEMBL540760 0.85 HRH3 (0.65) HPGDHRH3HIF1AEPAS1NPC1
SCHEMBL2912823 0.85 HPGD (0.64) HPGDHRH3HIF1AEPAS1NPC1
Hydrochloric Acid SCHEMBL3858785 0.85 HPGD (0.64) HPGDHRH3HIF1AEPAS1NPC1
Hydrochloric Acid SCHEMBL1177256 0.85 HPGD (0.64) HPGDHRH3HIF1AEPAS1NPC1
SCHEMBL13244639 0.83 HPGD (0.62) HPGDHRH3HIF1AEPAS1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 US claimed
EP-0604368-B1 Anti retroviral hydrazine derivatives CIBA GEIGY AG (CH) 1996-09-18 EP claimed
EP-0604368-A1 Anti retroviral hydrazine derivatives CIBA-GEIGY AG (CH) 1994-06-29 EP claimed
US-7135502-B1 Colchinol derivatives as vascular damaging agents ANGIOGENE PHARMACEUTICALS LTD. (GB) 2006-11-14 US disclosed
US-20060128633-A1 Colchinol derivatives as vascular damaging agents ANGIOGENE PHARMACEUTICALS LTD. 2006-06-15 US disclosed
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
EP-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
EP-1140745-B1 COLCHINOL DERIVATIVES AS VASCULAR DAMAGING AGENTS ANGIOGENE PHARM LTD (GB) 2003-10-22 EP disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed
EP-1140745-A1 COLCHINOL DERIVATIVES AS VASCULAR DAMAGING AGENTS Angiogene Pharmaceuticals Ltd (GB) 2001-10-10 EP disclosed
WO-2000040529-A1 COLCHINOL DERIVATIVES AS VASCULAR DAMAGING AGENTS ANGIOGENE PHARMACEUTICALS LTD. (GB) 2000-07-13 WO disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 US disclosed
EP-0604368-B1 Anti retroviral hydrazine derivatives CIBA GEIGY AG (CH) 1996-09-18 EP disclosed
EP-0604368-A1 Anti retroviral hydrazine derivatives CIBA-GEIGY AG (CH) 1994-06-29 EP 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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 HPGD 554/4885HRH3 142/4885HIF1A 881/4885
US-20060128633-A1 Colchinol derivatives as vascular damaging agents NR1H3, NR1H2, NR1H4 HPGD 2462/4885HRH3 27/4885HIF1A 1235/4885

“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.