SCHEMBL3746959

SCHEMBL3746959

S=c1[nH]cc(C(Cc2ccccc2)c2cnsn2)[nH]1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
GFER P55789 1/20 0.33
HPGD P15428 2/20 0.32
GLA P06280 1/20 0.32
CPA1 P15085 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL3747176 0.82 KDM4E (0.33) KDM4EGAAGFERHPGDGLA
SCHEMBL3749372 0.67 ALDH1A1 (0.33) KDM4EGAAGFERHPGDALDH1A1
SCHEMBL29181424 0.58 HTR1A (0.44) KDM4EGAAHPGDCPA1ALDH1A1
SCHEMBL30750931 0.58 HTR1A (0.44) KDM4EGAAHPGDCPA1ALDH1A1
SCHEMBL2744617 0.58 SMN1; SMN2 (0.56) KDM4EGAAGFERHPGDALDH1A1
SCHEMBL29181373 0.56 MAPT (0.43) KDM4EGAAGFER
SCHEMBL28761060 0.54 DAO (0.62) KDM4EGAAGFERHPGDALDH1A1
SCHEMBL4418633 0.54 ALDH1A1 (0.53) HPGDALDH1A1
SCHEMBL29517059 0.51 SIGMAR1 (0.46)
SCHEMBL258911 0.51 GAA (1.00) KDM4EGAAGFERHPGDALDH1A1

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 KDM4E 2607/4885GAA 2963/4885GFER 4154/4885
US-20090176828-A1 4-(CONDENSED CYCLICMETHYL)-IMIDAZOLE-2-THIONES ACTING AS ALPHA2 ADRENERGIC AGONISTS ADRB2, ADRA2C, ADRA2A KDM4E 3132/4885GAA 3438/4885GFER 4112/4885

“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.