SCHEMBL6415562

SCHEMBL6415562

O=C1COc2cc(C(=O)N3CCOCC3)ccc2N1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.58
POLB P06746 2/20 0.51
NR3C2 P08235 2/20 0.50
CNR1 P21554 1/20 0.50
PKM P14618 1/20 0.50
DNMT1 P26358 1/20 0.47
PTPN7 P35236 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PHGDH O43175 1/20 0.47
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
RECQL P46063 1/20 0.46
HSP90AA1 P07900 2/20 0.45
HSP90AB1 P08238 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
JAK2 O60674 1/20 0.45
DRD2 P14416 1/20 0.45

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
SCHEMBL532062 0.90 NR3C2 (0.61) HPGDPOLBNR3C2CNR1PKM
SCHEMBL14072995 0.88 HPGD (0.57) HPGDNR3C2CNR1PKML3MBTL1
SCHEMBL14073003 0.86 HPGD (0.57) HPGDPOLBNR3C2KMT2ALMNA
SCHEMBL6214174 0.79 POLB (0.53) HPGDPOLBPKMDNMT1PTPN7
SCHEMBL7325238 0.78 CRBN (0.58) HPGDPOLBPKMDNMT1PTPN7
SCHEMBL14072961 0.78 NR3C2 (0.61) HPGDNR3C2PKMLMNATSHR
SCHEMBL941445 0.78 GAA (0.56) NR3C2PKMKMT2ALMNAALDH1A1
SCHEMBL6780554 0.78 HPGD (0.52) HPGDPOLBCNR1PKMDNMT1
SCHEMBL3283784 0.76 ALDH1A1 (0.56) POLBPKMLMNATSHRALDH1A1
SCHEMBL7349545 0.76 ALDH1A1 (0.52) POLBPKMLMNAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221093-A1 Metalloprotease inhibitors containing a heterocyclic moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 US disclosed
US-20080221093-A1 Metalloprotease inhibitors containing a heterocyclic moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 US disclosed
EP-1359917-B1 THIOXAZINOQUINOLONES USEFUL FOR THE TREATMENT OF VIRAL INFECTIONS PHARMACIA & UPJOHN CO LLC (US) 2005-06-29 EP disclosed
US-6821969-B2 FOR THERAPY AND PROPHYLAXIS OF HERPESVIRAL INFECTION PHARMACIA & UPJOHN COMPANY 2004-11-23 US disclosed
EP-1359917-A1 THIOXAZINOQUINOLONES USEFUL FOR THE TREATMENT OF VIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 2003-11-12 EP disclosed
EP-1220858-B1 OXAZINOQUINOLONES USEFUL FOR THE TREATMENT OF VIRAL INFECTIONS UPJOHN CO (US) 2003-11-05 EP disclosed
US-20020143013-A1 Thioxazinoquinolones as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-10-03 US disclosed
WO-2002064145-A1 THIOXAZINOQUINOLONES USEFUL FOR THE TREATMENT OF VIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 2002-08-22 WO disclosed
EP-1220858-A2 OXAZINOQUINOLONES USEFUL FOR THE TREATMENT OF VIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 2002-07-10 EP disclosed
US-6340680-B1 AS ANTIVIRAL AGENTS, AGAINST VIRUSES OF HERPES FAMILY PHARMACIA AND UPJOHN COMPANY 2002-01-22 US disclosed
WO-2001025239-A2 OXAZINOQUINOLONES USEFUL FOR THE TREATMENT OF VIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 2001-04-12 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-20080221093-A1 Metalloprotease inhibitors containing a heterocyclic moiety MMP12, MMP13, MMP25 HPGD 89/4885POLB 2906/4885NR3C2 2939/4885
US-20020143013-A1 Thioxazinoquinolones as antiviral agents DDX5, IRF3, ZC3HAV1 HPGD 1954/4885POLB 1044/4885NR3C2 4253/4885

“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.