SCHEMBL4528236

SCHEMBL4528236

O=CCCOCCOCCc1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
NQO2 P16083 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
CASP1 P29466 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 1/20 0.40
CDYL Q9Y232 1/20 0.39
ACP3 P15309 1/20 0.39
DAO P14920 1/20 0.38
KCNA5 P22460 1/20 0.38
SCN5A Q14524 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL6711225 0.98 MTNR1A (0.43) MTNR1AADRB2ADRB1NQO2FFAR4
SCHEMBL586305 0.85 CYP1A2 (0.52) MTNR1ANQO2TDP1CYP1A2CYP2C19
SCHEMBL4514641 0.84 ADRB2 (0.46) MTNR1AADRB2ADRB1NQO2FFAR4
SCHEMBL6538980 0.84 NPC1 (0.49) NPC1RAB9ATDP1CYP1A2CYP2C19
SCHEMBL143458 0.81 MTNR1A (0.49) MTNR1ANQO2NPC1RAB9ATDP1
SCHEMBL143128 0.78 MTNR1A (0.47) MTNR1ANQO2TDP1CYP1A2CYP2C19
SCHEMBL4510057 0.77 TDP1 (0.54) MTNR1AFFAR4TDP1KDM4EALDH1A1
SCHEMBL3225216 0.77 MTNR1A (0.45) MTNR1ANQO2TDP1CYP1A2CYP2C19
SCHEMBL3113301 0.77 CYP1A2 (0.44) MTNR1ANQO2FFAR4TDP1CYP1A2
SCHEMBL11052717 0.77 CYP1A2 (0.46) MTNR1ANQO2TDP1KDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221653-A1 7-(2-amino-1-hydroxy-ethyl)-4-hydroxybenzothiazol-2(3H)-one-derivatives as beta2 adrenoreceptor agonists ASTRAZENECA AB (SE) 2009-09-03 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 (1 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-20090221653-A1 7-(2-amino-1-hydroxy-ethyl)-4-hydroxybenzothiazol-2(3H)-one-derivatives as beta2 adrenoreceptor agonists ADRB2, ADRB1, ADRA2C MTNR1A 257/4885ADRB2 1/4885ADRB1 2/4885

“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.