SCHEMBL6166457

SCHEMBL6166457

CC1OC(CCCC[N+](=O)[O-])O1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL719096 0.69 ALDH1A1 (0.67) ALDH1A1TDP1
SCHEMBL11704345 0.67 LMNA (0.33)
SCHEMBL6165265 0.67 NFKB1 (0.35) ALDH1A1
SCHEMBL13577978 0.67 ALDH1A1 (0.36) ALDH1A1
SCHEMBL6796138 0.67 ALDH1A1 (0.39) ALDH1A1TDP1
SCHEMBL9323936 0.67 ALDH1A1 (0.72) ALDH1A1TDP1
SCHEMBL16341166 0.67 ALDH1A1 (0.72) ALDH1A1TDP1
SCHEMBL715302 0.67 ALDH1A1 (0.72) ALDH1A1TDP1
SCHEMBL1311257 0.67 ALDH1A1 (0.72) ALDH1A1TDP1
SCHEMBL719520 0.67 ALDH1A1 (0.72) ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1250335-B1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF IMIDAZOPYRIDINES ALTANA PHARMA AG (DE) 2005-07-27 EP disclosed
US-6812349-B2 MATERIALS FOR SYNTHESIS PEPTIC ULCER MEDICAMENTS; SUCH AS 2-CYANO-4,5-DIMETHYL-1-N-(PENTAN-2-ON-5-YL)IMIDAZOLE ALTANA PHARMA AG (DE) 2004-11-02 US disclosed
US-6716990-B2 TREATMENT OF PEPTIC ULCERS ALTANA PHARMA AG (DE) 2004-04-06 US disclosed
US-20040059127-A1 Process and intermediates for the preparation of imidazopyridines BYK GULDEN FABRIK LOMBERG CHEMISCHE FABRIK GMBH (DE) 2004-03-25 US disclosed
US-20030004358-A1 Process and intermediates for the preparation of imidazopyridines ALTANA PHARMA AG (DE) 2003-01-02 US disclosed
EP-1250335-A2 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF IMIDAZOPYRIDINES ALTANA Pharma AG (DE) 2002-10-23 EP disclosed
WO-2001051486-A2 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF IMIDAZOPYRIDINES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2001-07-19 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-20030004358-A1 Process and intermediates for the preparation of imidazopyridines CYP3A4, CYP1A1, CYP1A2 ALDH1A1 555/4885TDP1 1657/4885
US-20040059127-A1 Process and intermediates for the preparation of imidazopyridines CYP3A4, CYP1A2, CYP1A1 ALDH1A1 365/4885TDP1 1625/4885

“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.