SCHEMBL1800545

SCHEMBL1800545

CC(C)(C)OC(=O)N(CCc1ccccn1)Cc1ccc(CCO)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 3/20 0.47
RAF1 P04049 5/20 0.46
MAP2K1 Q02750 5/20 0.46
TSHR P16473 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SSTR4 P31391 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 1/20 0.44
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
NCOR2 Q9Y618 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NAMPT P43490 1/20 0.40

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
SCHEMBL1800515 0.90 CYP2D6 (0.47) KDM4EALDH1A1RAF1MAP2K1TDP1
SCHEMBL1799338 0.90 RAF1 (0.42) KDM4EALDH1A1RAF1MAP2K1TSHR
SCHEMBL1797314 0.85 SSTR4 (0.43) KDM4EALDH1A1RAF1MAP2K1TDP1
SCHEMBL1798901 0.85 HDAC1 (0.52) TDP1SSTR4HDAC3HDAC1HDAC2
SCHEMBL1800492 0.84 RAF1 (0.45) KDM4EALDH1A1RAF1MAP2K1POLB
SCHEMBL30441397 0.83 RAF1 (0.49) KDM4EALDH1A1RAF1MAP2K1TDP1
SCHEMBL7864555 0.82 KDM4E (0.45) KDM4EALDH1A1RAF1MAP2K1POLB
SCHEMBL22746859 0.82 SSTR4 (0.56) KDM4EALDH1A1NPSR1POLBTDP1
SCHEMBL4249245 0.81 HDAC3 (0.47) KDM4EALDH1A1TSHRNPSR1POLB
SCHEMBL1801310 0.81 L3MBTL1 (0.42) KDM4EALDH1A1RAF1MAP2K1TSHR

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-7951954-B2 Bezothiazol derivatives as Beta2 adrenoreceptor agonists ASTRAZENECA AB (SE) 2011-05-31 US disclosed
CN-101443320-A Benzothiazole derivatives as beta 2 adrenoreceptor agonists ASTRAZENECA AB (SE) 2009-05-27 CN disclosed
US-20090062259-A1 Bezothiazol Derivatives as Beta2 Adrenoreceptor Agonists ASTRAZENECA AB (SE) 2009-03-05 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-20090062259-A1 Bezothiazol Derivatives as Beta2 Adrenoreceptor Agonists ADRB2, ADRB1, ADRB3 KDM4E 4838/4885ALDH1A1 1203/4885RAF1 2030/4885

“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.