SCHEMBL3746941

SCHEMBL3746941

CC(O)(c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)c1cccc2nsnc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.33
ALDH1A1 P00352 5/20 0.33
HSD17B10 Q99714 4/20 0.33
HPGD P15428 3/20 0.33
CASP1 P29466 2/20 0.33
KMT2A Q03164 5/20 0.32
MAPT P10636 4/20 0.32
MEN1 O00255 3/20 0.32
PKM P14618 2/20 0.32
CTDSP1 Q9GZU7 2/20 0.32
DUSP3 P51452 1/20 0.32
PTPN5 P54829 1/20 0.32
CASP6 P55212 1/20 0.32
PTPN11 Q06124 1/20 0.32
SIRT2 Q8IXJ6 2/20 0.32
TSHR P16473 2/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 4/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32

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
SCHEMBL3742293 0.80 TSHR (0.35) ALDH1A1KMT2AMAPTMEN1SIRT2
SCHEMBL31359426 0.78 CYP2C19 (0.43) KDM4EALDH1A1HSD17B10HPGDKMT2A
SCHEMBL12510465 0.78 CYP11B1 (0.33) KMT2AMAPTMEN1SIRT2TSHR
SCHEMBL3755263 0.78 CYP2C19 (0.43) KDM4EALDH1A1HSD17B10HPGDKMT2A
SCHEMBL3416281 0.77 TP53 (0.33) KMT2AMAPTMEN1SIRT2TSHR
SCHEMBL3418683 0.77 KCNN4 (0.40) KMT2AMAPTMEN1SIRT2TSHR
SCHEMBL34464541 0.76 ENPP2 (0.36) SIRT2ENPP2
SCHEMBL4821483 0.76 CYP3A4 (0.39) SIRT2TSHR
SCHEMBL31284594 0.76 CYP3A4 (0.34) SIRT2TSHR
SCHEMBL31284856 0.75 HTR1A (0.35) ENPP2

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 12 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-7838545-B2 4-(condensed cyclicmethyl)-imidazole-2-thiones acting as alpha2 adrenergic agonists ALLERGAN, INC. (US) 2010-11-23 US disclosed
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-20090176828-A1 4-(CONDENSED CYCLICMETHYL)-IMIDAZOLE-2-THIONES ACTING AS ALPHA2 ADRENERGIC AGONISTS ALLERGAN, INC. (US) 2009-07-09 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
US-7396849-B2 4-(Condensed cyclicmethyl)-imidazole-2-thiones acting as α2 adrenergic agonists ALLERGAN, INC. (US) 2008-07-08 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 2607/4885ALDH1A1 277/4885HSD17B10 2456/4885
US-20090176828-A1 4-(CONDENSED CYCLICMETHYL)-IMIDAZOLE-2-THIONES ACTING AS ALPHA2 ADRENERGIC AGONISTS ADRB2, ADRA2C, ADRA2A KDM4E 3132/4885ALDH1A1 270/4885HSD17B10 2409/4885

“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.