SCHEMBL6780707

SCHEMBL6780707

O=C(c1ccc([N+](=O)[O-])c(OCC2CO2)c1)N1CCOCC1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.61
ALDH1A1 P00352 2/20 0.61
GAA P10253 2/20 0.58
SMN1; SMN2 Q16637 3/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 4/20 0.48
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
HTT P42858 1/20 0.48
HPGD P15428 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 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
SCHEMBL16982451 0.84 ALDH1A1 (0.67) KDM4EALDH1A1GAASMN1; SMN2KMT2A
SCHEMBL6416077 0.81 ALDH1A1 (0.61) KDM4EALDH1A1GAASMN1; SMN2KMT2A
SCHEMBL12312156 0.81 ALDH1A1 (0.71) KDM4EALDH1A1GAASMN1; SMN2KMT2A
SCHEMBL29833145 0.81 ALDH1A1 (0.71) KDM4EALDH1A1GAASMN1; SMN2KMT2A
SCHEMBL6782848 0.80 ALDH1A1 (0.57) KDM4EALDH1A1GAASMN1; SMN2KMT2A
SCHEMBL6776915 0.78 L3MBTL1 (0.55) KDM4EALDH1A1GAASMN1; SMN2KMT2A
SCHEMBL23325984 0.78 ALDH1A1 (0.56) KDM4EALDH1A1GAASMN1; SMN2KMT2A
SCHEMBL16982411 0.78 ALDH1A1 (0.67) KDM4EALDH1A1GAASMN1; SMN2KMT2A
SCHEMBL546063 0.78 ALDH1A1 (0.78) KDM4EALDH1A1GAASMN1; SMN2KMT2A
SCHEMBL2944851 0.77 ALDH1A1 (1.00) KDM4EALDH1A1GAASMN1; SMN2KMT2A

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 KDM4E 1562/4885ALDH1A1 594/4885GAA 590/4885

“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.