SCHEMBL3745997

SCHEMBL3745997

C1=C(Cc2nc(Cc3ccccc3)c[nH]2)OCO1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TAAR1 Q96RJ0 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MET P08581 1/20 0.31
HPGD P15428 1/20 0.31
GAA P10253 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
AURKA O14965 1/20 0.30
DAPK3 O43293 1/20 0.30
JAK2 O60674 1/20 0.30
ROCK2 O75116 1/20 0.30
CDK1 P06493 1/20 0.30
FGFR1 P11362 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
SCHEMBL1723556 0.79 TAAR1 (0.48) ALDH1A1RAB9ATAAR1HRH3MEN1
SCHEMBL182272 0.77 CALM1 (0.44) ALDH1A1RAB9ASMN1; SMN2TDP1L3MBTL1
SCHEMBL9491806 0.71 TAAR1 (0.41) ALDH1A1TDP1TAAR1HRH3MEN1
SCHEMBL28235165 0.71 TAAR1 (0.41) ALDH1A1RAB9ASMN1; SMN2TDP1L3MBTL1
SCHEMBL11961679 0.71 TAAR1 (0.41) ALDH1A1RAB9ATAAR1HRH3MEN1
SCHEMBL7020746 0.71 ALDH1A1 (0.44) ALDH1A1TAAR1HRH3MEN1KMT2A
SCHEMBL4081720 0.71 TAAR1 (0.41) ALDH1A1TAAR1HRH3MEN1KMT2A
SCHEMBL6432857 0.70 TAAR1 (0.40) ALDH1A1TAAR1HRH3MEN1KMT2A
Hydrochloric Acid SCHEMBL9020832 0.70 ALDH1A1 (0.43) ALDH1A1TDP1TAAR1HRH3MEN1
Hydrochloric Acid SCHEMBL11097952 0.70 TAAR1 (0.40) ALDH1A1TDP1TAAR1HRH3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7838545-B2 4-(condensed cyclicmethyl)-imidazole-2-thiones acting as alpha2 adrenergic agonists ALLERGAN, INC. (US) 2010-11-23 US disclosed
US-20090176828-A1 4-(CONDENSED CYCLICMETHYL)-IMIDAZOLE-2-THIONES ACTING AS ALPHA2 ADRENERGIC AGONISTS ALLERGAN, INC. (US) 2009-07-09 US disclosed
US-7396849-B2 4-(Condensed cyclicmethyl)-imidazole-2-thiones acting as α2 adrenergic agonists ALLERGAN, INC. (US) 2008-07-08 US disclosed
EP-1791833-A2 4-(CONDENSED CYCLICMETHYL)-IMIDAZOLE-2-THIONES ACTING AS ALPHA2 ADRENERGIC AGONISTS Allergan, Inc. (US) 2007-06-06 EP disclosed
WO-2006036497-A2 4-(CONDENSED CYCLICMETHYL)-IMIDAZOLE-2-THIONES ACTING AS ALPHA2 ADRENERGIC AGONISTS ALLERGAN, INC. (US) 2006-04-06 WO disclosed
US-20060069144-A1 4-(Condensed cyclicmethyl)-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-20060069144-A1 4-(Condensed cyclicmethyl)-imidazole-2-thiones acting as alpha2 adrenergic agonists ADRB2, ADRA2C, ADRA2A ALDH1A1 277/4885RAB9A 2469/4885SMN1; SMN2 1070/4885
US-20090176828-A1 4-(CONDENSED CYCLICMETHYL)-IMIDAZOLE-2-THIONES ACTING AS ALPHA2 ADRENERGIC AGONISTS ADRB2, ADRA2C, ADRA2A ALDH1A1 270/4885RAB9A 2840/4885SMN1; SMN2 759/4885

“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.