SCHEMBL6776915

SCHEMBL6776915

O=C(c1ccc([N+](=O)[O-])c(OCC(O)CN2CCOCC2)c1)N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
GAA P10253 2/20 0.53
NPC1 O15118 1/20 0.52
ABCB1 P08183 8/20 0.50
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PRMT5 O14744 1/20 0.47
WDR77 Q9BQA1 1/20 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 0.82 ALDH1A1 (0.67) L3MBTL1KDM4EALDH1A1GAANPC1
SCHEMBL9700301 0.81 L3MBTL1 (0.84) L3MBTL1ALDH1A1NPC1ABCB1SMN1; SMN2
SCHEMBL23325984 0.80 ALDH1A1 (0.56) L3MBTL1KDM4EALDH1A1GAANPC1
SCHEMBL6780707 0.78 KDM4E (0.61) L3MBTL1KDM4EALDH1A1GAANPC1
SCHEMBL6416077 0.78 ALDH1A1 (0.61) L3MBTL1KDM4EALDH1A1GAANPC1
SCHEMBL29833145 0.78 ALDH1A1 (0.71) L3MBTL1KDM4EALDH1A1GAANPC1
SCHEMBL12312156 0.78 ALDH1A1 (0.71) L3MBTL1KDM4EALDH1A1GAANPC1
SCHEMBL16982411 0.78 ALDH1A1 (0.67) L3MBTL1KDM4EALDH1A1GAANPC1
SCHEMBL6782848 0.78 ALDH1A1 (0.57) KDM4EALDH1A1GAALMNASMN1; SMN2
SCHEMBL546063 0.75 ALDH1A1 (0.78) L3MBTL1KDM4EALDH1A1GAANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1299395-B1 OXAZINOQUINOLONES USEFUL FOR THE TREATMENT OF VIRAL INFECTIONS UPJOHN CO (US) 2004-09-15 EP disclosed
US-6673793-B2 N-(4-CHLOROBENZYL)-9-(MORPHOLIN-4-YLMETHYL)-7-OXO-2-(S)-PYRIDIN-2-YL-2,3-DIHYDRO-7H-(1,4) OXAZINO(2,3,4-IJ)QUINOLINE-6-CARBOXAMIDE, FOR EXAMPLE; INHIBITING A VIRAL DNA POLYMERASE; TREATING VIRUSES OF HERPES FAMILY PHARMACIA & UPJOHN CO. 2004-01-06 US disclosed
EP-1299395-A1 OXAZINOQUINOLONES USEFUL FOR THE TREATMENT OF VIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 2003-04-09 EP disclosed
US-20020103170-A1 Oxazinoquinolones useful for the treatment of viral infections PHARMACIA & UPJOHN COMPANY 2002-08-01 US disclosed
WO-2002004462-A1 OXAZINOQUINOLONES USEFUL FOR THE TREATMENT OF VIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 2002-01-17 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-20020103170-A1 Oxazinoquinolones useful for the treatment of viral infections ZC3HAV1, RPL5, ZC3HAV1L L3MBTL1 3449/4885KDM4E 1562/4885ALDH1A1 594/4885

“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.