SCHEMBL6416077

SCHEMBL6416077

COC(=O)COc1cc(C(=O)N2CCOCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
KDM4E B2RXH2 2/20 0.61
GAA P10253 3/20 0.58
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 2/20 0.49
HTT P42858 1/20 0.48
GLA P06280 1/20 0.48
POLB P06746 2/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MAPT P10636 2/20 0.47

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
SCHEMBL16982451 0.87 ALDH1A1 (0.67) ALDH1A1KDM4EGAALMNASMN1; SMN2
SCHEMBL12312156 0.85 ALDH1A1 (0.71) ALDH1A1KDM4EGAALMNASMN1; SMN2
SCHEMBL29833145 0.85 ALDH1A1 (0.71) ALDH1A1KDM4EGAALMNASMN1; SMN2
SCHEMBL6782848 0.84 ALDH1A1 (0.57) ALDH1A1KDM4EGAALMNASMN1; SMN2
SCHEMBL6780707 0.81 KDM4E (0.61) ALDH1A1KDM4EGAALMNASMN1; SMN2
SCHEMBL16982411 0.80 ALDH1A1 (0.67) ALDH1A1KDM4EGAALMNASMN1; SMN2
SCHEMBL29979942 0.79 AR (0.58) ALDH1A1SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL2978081 0.79 AR (0.58) ALDH1A1SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL16982486 0.79 ALDH1A1 (0.61) ALDH1A1KDM4EGAALMNASMN1; SMN2
SCHEMBL13161889 0.79 ALDH1A1 (0.68) ALDH1A1KDM4EGAALMNASMN1; SMN2

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-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 (1 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-20020143013-A1 Thioxazinoquinolones as antiviral agents DDX5, IRF3, ZC3HAV1 ALDH1A1 858/4885KDM4E 1053/4885GAA 1194/4885

“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.