SCHEMBL14066621

SCHEMBL14066621

S=c1[nH]cc(Cc2ccccn2)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.53
HRH4 Q9H3N8 3/20 0.53
PNP P00491 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HRH1 P35367 1/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
GFER P55789 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LIN28A Q9H9Z2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL7011364 0.78 PNP (0.54) HRH3HRH4PNPTSHRLMNA
SCHEMBL14123256 0.76 SMN1; SMN2 (0.60) HRH3HRH4PNPL3MBTL1TSHR
SCHEMBL12578976 0.72 HRH3 (0.59) HRH3HRH4L3MBTL1HRH1TSHR
SCHEMBL41191 0.71 L3MBTL1 (0.59) HRH3HRH4L3MBTL1HRH1TSHR
SCHEMBL29830938 0.71 L3MBTL1 (0.59) HRH3HRH4L3MBTL1HRH1TSHR
Bromide SCHEMBL6114859 0.69 L3MBTL1 (0.57) HRH3HRH4L3MBTL1HRH1TSHR
Ammonia Solution, Strong SCHEMBL6176560 0.69 L3MBTL1 (0.57) HRH3HRH4L3MBTL1HRH1TSHR
SCHEMBL29715188 0.69 L3MBTL1 (0.57) HRH3HRH4L3MBTL1HRH1TSHR
SCHEMBL4938201 0.69 L3MBTL1 (0.57) HRH3HRH4L3MBTL1HRH1TSHR
Hydrochloric Acid SCHEMBL10884973 0.69 L3MBTL1 (0.57) HRH3HRH4L3MBTL1HRH1LMNA

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 2 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

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-20080221152-A1 4-(HETEROARYL-METHYL AND SUBSTITUTED HETEROARYL-METHYL)-IMIDAZOLE-2-THIONES ACTING AS ALPHA2 ADRENERGIC AGONISTS ADRB2, ADRA2C, ADRA2A HRH3 498/4885HRH4 355/4885PNP 3920/4885

“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.