SCHEMBL3587193

SCHEMBL3587193

CCN(CC)CCN(CC(OC)OC)C(=O)CCOCCc1ccc2ccccc2c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 9/20 0.53
CYP1A2 P05177 1/20 0.39
MME P08473 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
MC4R P32245 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
BCHE P06276 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL1179225 0.84 ADRB2 (0.53) ADRB2
SCHEMBL3580545 0.84 ADRB2 (0.58) ADRB2CYP1A2SIGMAR1MC4RHDAC1
SCHEMBL1179648 0.82 ADRB2 (0.53) ADRB2CYP1A2KDM4E
SCHEMBL3592477 0.80 ADRB2 (0.40) ADRB2CYP1A2MC4RBCHEKDM4E
Oxalic Acid SCHEMBL3807723 0.76 KDM4E (0.49) ADRB2CYP1A2SIGMAR1KDM4E
SCHEMBL12193249 0.76 ADRB2 (0.54) ADRB2
SCHEMBL3817577 0.76 SIGMAR1 (0.50) ADRB2CYP1A2SIGMAR1BCHEKDM4E
SCHEMBL12193241 0.74 ADRB2 (0.54) ADRB2CYP1A2MC4RKDM4E
SCHEMBL3577973 0.72 ADRB2 (0.54) ADRB2KDM4E
SCHEMBL14139271 0.71 ADRB2 (0.49) ADRB2

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 156/4885CYP1A2 481/4885MME 3467/4885
US-20100210688-A1 Novel Benzothiazolone Derivatives NR0B1, RB1, CCND1 ADRB2 156/4885CYP1A2 481/4885MME 3467/4885

“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.