SCHEMBL4828660

SCHEMBL4828660

S=c1[nH]cc(Cn2ccc3cccc(Cl)c32)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.47
ADRA2B P18089 2/20 0.47
ADRA2C P18825 2/20 0.47
HRH3 Q9Y5N1 1/20 0.38
DBH P09172 2/20 0.35
PSMB8 P28062 2/20 0.33
NPY5R Q15761 1/20 0.32
APP P05067 1/20 0.32
CYB5R3 P00387 1/20 0.32
DAO P14920 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
BACE1 P56817 1/20 0.30

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
SCHEMBL4828688 0.84 ADRA2A (0.47) ADRA2AADRA2BADRA2CDAO
SCHEMBL4828732 0.84 ADRA2A (0.32) ADRA2AADRA2BADRA2CDBHDAO
SCHEMBL4824677 0.84 ADRA2A (0.32) ADRA2AADRA2BADRA2C
SCHEMBL4828722 0.78 DBH (0.38) DBHPSMB8NPY5RAPPCYB5R3
SCHEMBL14066604 0.77 CDK4 (0.47) DAO
SCHEMBL2745094 0.68 TAAR1 (0.41) PSMB8CYB5R3DAO
SCHEMBL14473516 0.68 ADRA2A (0.49) ADRA2AADRA2BADRA2CHRH3NPY5R
SCHEMBL14066611 0.65 ADRA2A (0.47) ADRA2AADRA2BADRA2CHRH3NPY5R
SCHEMBL30638824 0.64 HTR2A (0.46) ADRA2AADRA2BADRA2CNPY5RBACE1
SCHEMBL1576332 0.63 KMT2A (0.56) ADRA2AADRA2BADRA2CHRH3NPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221152-A1 4-(HETEROARYL-METHYL AND SUBSTITUTED HETEROARYL-METHYL)-IMIDAZOLE-2-THIONES ACTING AS ALPHA2 ADRENERGIC AGONISTS ALLERGAN, INC. (US) 2008-09-11 US disclosed
US-7399868-B2 4-(Heteroaryl-methyl and substituted heteroaryl-methyl)-imidazole-2-thiones acting as alpha2 adrenergic agonists ALLERGAN, INC. (US) 2008-07-15 US disclosed
US-7399868-B2 4-(Heteroaryl-methyl and substituted heteroaryl-methyl)-imidazole-2-thiones acting as alpha2 adrenergic agonists ALLERGAN, INC. (US) 2008-07-15 US disclosed
US-7399868-B2 4-(Heteroaryl-methyl and substituted heteroaryl-methyl)-imidazole-2-thiones acting as alpha2 adrenergic agonists ALLERGAN, INC. (US) 2008-07-15 US disclosed
US-20060069143-A1 4-(Heteroaryl-methyl and substituted heteroaryl-methyl)-imidazole-2-thiones acting as alpha2 adrenergic agonists ALLERGAN, INC. 2006-03-30 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-20080221152-A1 4-(HETEROARYL-METHYL AND SUBSTITUTED HETEROARYL-METHYL)-IMIDAZOLE-2-THIONES ACTING AS ALPHA2 ADRENERGIC AGONISTS ADRB2, ADRA2C, ADRA2A ADRA2A 3/4885ADRA2B 5/4885ADRA2C 2/4885
US-20060069143-A1 4-(Heteroaryl-methyl and substituted heteroaryl-methyl)-imidazole-2-thiones acting as alpha2 adrenergic agonists ADRB2, ADRA2C, ADRA2A ADRA2A 3/4885ADRA2B 5/4885ADRA2C 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.