SCHEMBL3580545

SCHEMBL3580545

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

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 10/20 0.58
CYP1A2 P05177 1/20 0.40
PDPK1 O15530 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
MC4R P32245 1/20 0.36
MC5R P33032 1/20 0.36
MC3R P41968 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36

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
SCHEMBL3587193 0.84 ADRB2 (0.53) ADRB2CYP1A2SIGMAR1HDAC1HDAC8
SCHEMBL1180557 0.84 ADRB2 (0.58) ADRB2
SCHEMBL1180543 0.82 ADRB2 (0.59) ADRB2CYP1A2
SCHEMBL3587177 0.79 ADRB2 (0.44) ADRB2CYP1A2SIGMAR1
Oxalic Acid SCHEMBL3807723 0.78 KDM4E (0.49) ADRB2CYP1A2SIGMAR1
SCHEMBL3817577 0.77 SIGMAR1 (0.50) ADRB2CYP1A2SIGMAR1
SCHEMBL3588896 0.75 MEN1 (0.47) ADRB2
SCHEMBL3590880 0.75 ADRB2 (0.54) ADRB2
SCHEMBL3592006 0.75 ADRB2 (1.00) ADRB2
SCHEMBL3577973 0.74 ADRB2 (0.54) 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 481/4885PDPK1 3942/4885
US-20100210688-A1 Novel Benzothiazolone Derivatives NR0B1, RB1, CCND1 ADRB2 156/4885CYP1A2 481/4885PDPK1 3942/4885

“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.