SCHEMBL3590562

SCHEMBL3590562

CCOC(CNCc1cccnc1)OCC

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
NPSR1 Q6W5P4 1/20 0.60
CYP1A2 P05177 1/20 0.59
CYP2D6 P10635 1/20 0.59
POLB P06746 2/20 0.57
TP53 P04637 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
CHRM2 P08172 1/20 0.50
HTT P42858 1/20 0.49
KMT2A Q03164 2/20 0.47
PKM P14618 1/20 0.47
SCN8A Q9UQD0 1/20 0.46
LMNA P02545 2/20 0.46
MAPK1 P28482 1/20 0.45
ACHE P22303 1/20 0.45
MEN1 O00255 1/20 0.44

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
SCHEMBL7664937 0.84 CYP1A2 (0.62) ALDH1A1NPSR1CYP1A2CYP2D6POLB
SCHEMBL1285846 0.81 GAA (0.43) ALDH1A1NPSR1POLBTP53TDP1
SCHEMBL31686137 0.80 CHRNB2 (0.49) ALDH1A1NPSR1CYP1A2CYP2D6POLB
SCHEMBL26645944 0.80 CHRNB2 (0.49) ALDH1A1NPSR1CYP1A2CYP2D6POLB
SCHEMBL289500 0.80 SMN1; SMN2 (0.49) ALDH1A1CYP1A2CYP2D6TP53TDP1
SCHEMBL21763578 0.80 ALDH1A1 (0.66) ALDH1A1NPSR1CYP1A2CYP2D6POLB
SCHEMBL17660287 0.79 CYP1A2 (0.69) ALDH1A1NPSR1CYP1A2CYP2D6POLB
Hydrochloric Acid SCHEMBL2811924 0.79 SMN1; SMN2 (0.47) ALDH1A1CYP1A2CYP2D6TP53TDP1
Hydrochloric Acid SCHEMBL15848241 0.78 CYP1A2 (0.67) ALDH1A1NPSR1CYP1A2CYP2D6POLB
SCHEMBL1037867 0.77 CYP1A2 (0.77) ALDH1A1NPSR1CYP1A2CYP2D6POLB

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
US-20100210688-A1 Novel Benzothiazolone Derivatives ASTRAZENECA AB (SE) 2010-08-19 US disclosed
US-7709511-B2 Benzothiazolone derivatives ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-20080300275-A1 Novel Benzothiazolone Derivatives ASTRAZENECA AB (SE) 2008-12-04 US disclosed
EP-1915354-A1 NOVEL BENZOTHIAZOLONE DERIVATIVES AstraZeneca AB (SE) 2008-04-30 EP disclosed
WO-2007018461-A1 NOVEL BENZOTHIAZOLONE DERIVATIVES ASTRAZENECA AB (SE) 2007-02-15 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-20080300275-A1 Novel Benzothiazolone Derivatives NR0B1, RB1, CCND1 ALDH1A1 233/4885NPSR1 531/4885CYP1A2 481/4885
US-20100210688-A1 Novel Benzothiazolone Derivatives NR0B1, RB1, CCND1 ALDH1A1 233/4885NPSR1 531/4885CYP1A2 481/4885

“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.