SCHEMBL6782848

SCHEMBL6782848

O=C(COc1cc(C(=O)N2CCOCC2)ccc1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
KDM4E B2RXH2 2/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
GAA P10253 3/20 0.55
MAPT P10636 2/20 0.52
HSD17B10 Q99714 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
RAB9A P51151 1/20 0.49
HPGD P15428 2/20 0.48
LMNA P02545 3/20 0.48
HTT P42858 1/20 0.48
ERN1 O75460 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
SCHEMBL6416077 0.84 ALDH1A1 (0.61) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL16982451 0.84 ALDH1A1 (0.67) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL6780707 0.80 KDM4E (0.61) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL12312156 0.80 ALDH1A1 (0.71) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL29833145 0.80 ALDH1A1 (0.71) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL6776915 0.78 L3MBTL1 (0.55) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL23325984 0.77 ALDH1A1 (0.56) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL16982411 0.77 ALDH1A1 (0.67) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL546063 0.77 ALDH1A1 (0.78) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL2014620 0.77 ALDH1A1 (0.66) ALDH1A1KDM4EMEN1KMT2AMAPT

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 ALDH1A1 594/4885KDM4E 1562/4885MEN1 2703/4885

“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.