SCHEMBL6609950

SCHEMBL6609950

CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.56
ALDH1A1 P00352 9/20 0.56
LMNA P02545 3/20 0.56
KCNJ1 P48048 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
KMT2A Q03164 3/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.46

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
SCHEMBL5238748 0.90 ALDH1A1 (0.56) MAPTALDH1A1LMNAKCNJ1SMN1; SMN2
SCHEMBL546450 0.84 ALDH1A1 (0.64) MAPTALDH1A1LMNAKCNJ1SMN1; SMN2
SCHEMBL30061320 0.84 ALDH1A1 (0.64) MAPTALDH1A1LMNAKCNJ1SMN1; SMN2
SCHEMBL14941460 0.83 ALDH1A1 (0.59) MAPTALDH1A1LMNAKCNJ1SMN1; SMN2
SCHEMBL6609562 0.80 ALDH1A1 (0.59) MAPTALDH1A1LMNAKCNJ1SMN1; SMN2
SCHEMBL16054038 0.80 ALDH1A1 (0.59) MAPTALDH1A1LMNAKCNJ1SMN1; SMN2
SCHEMBL29710198 0.80 ALDH1A1 (0.59) MAPTALDH1A1LMNAKCNJ1SMN1; SMN2
SCHEMBL6202441 0.80 MAPT (0.54) MAPTALDH1A1LMNAKCNJ1SMN1; SMN2
SCHEMBL29788525 0.80 HTT (0.59) MAPTALDH1A1LMNAKCNJ1SMN1; SMN2
SCHEMBL24269287 0.78 MAPT (0.46) MAPTALDH1A1LMNASMN1; 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-1456208-A1 PYRIDOQUINOXALINE ANTIVIRALS PHARMACIA & UPJOHN COMPANY (US) 2004-09-15 EP disclosed
US-20040106596-A1 Pyridoquinoxaline antivirals PERRAULT WILLIAM R (US) 2004-06-03 US disclosed
US-6686356-B2 HERPES VIRUS PHARMACIA & UPJOHN COMPANY 2004-02-03 US disclosed
US-20030130255-A1 PYRIDOQUINOXALINE ANTIVIRALS PHARMACIA & UPJOHN COMPANY 2003-07-10 US disclosed
WO-2003053972-A1 PYRIDOQUINOXALINE ANTIVIRALS PHARMACIA & UPJOHN COMPANY (US) 2003-07-03 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-20040106596-A1 Pyridoquinoxaline antivirals IFNAR1, ZC3HAV1, SARS1 MAPT 4339/4885ALDH1A1 803/4885LMNA 4453/4885
US-20030130255-A1 PYRIDOQUINOXALINE ANTIVIRALS IFNAR1, ZC3HAV1, SARS1 MAPT 4339/4885ALDH1A1 803/4885LMNA 4453/4885

“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.