SCHEMBL3582152

SCHEMBL3582152

CN(C)CCN(CCO)C(=O)CCOCCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 6/20 0.52
GAA P10253 1/20 0.43
ALOX5 P09917 2/20 0.43
TAAR1 Q96RJ0 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL3577973 0.88 ADRB2 (0.54) ADRB2GAA
SCHEMBL3593022 0.86 ADRB2 (0.54) ADRB2GAAALOX5
SCHEMBL3617638 0.76 ALDH1A1 (0.42) GAA
SCHEMBL3598759 0.75 MEN1 (0.49) ADRB2ALOX5MEN1NPC1RAB9A
SCHEMBL3581733 0.74 MEN1 (0.45) ADRB2GAAALOX5MEN1NPC1
SCHEMBL3588896 0.74 MEN1 (0.47) ADRB2ALOX5MEN1NPC1RAB9A
SCHEMBL3587698 0.72 MEN1 (0.43) ADRB2GAAALOX5MEN1NPC1
SCHEMBL4216337 0.72 KMT2A (0.50) ADRB2ALOX5MEN1NPC1RAB9A
SCHEMBL3590880 0.72 ADRB2 (0.54) ADRB2ALOX5
SCHEMBL3587959 0.71 ALOX5 (0.44) ADRB2ALOX5MEN1NPC1RAB9A

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 3 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

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 ADRB2 156/4885GAA 3555/4885ALOX5 4097/4885
US-20100210688-A1 Novel Benzothiazolone Derivatives NR0B1, RB1, CCND1 ADRB2 156/4885GAA 3555/4885ALOX5 4097/4885

“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.