SCHEMBL3751615

SCHEMBL3751615

C=C(c1c[nH]cn1)c1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
PTK2B Q14289 1/20 0.41
NR4A1 P22736 1/20 0.40
NR4A2 P43354 1/20 0.40
NR4A3 Q92570 1/20 0.40
KMT2A Q03164 4/20 0.39
MAPT P10636 4/20 0.39
MEN1 O00255 2/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MMP3 P08254 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
PTPN1 P18031 1/20 0.36
CDC25B P30305 1/20 0.36
PLK1 P53350 1/20 0.36
KDM4E B2RXH2 3/20 0.35
MAPK1 P28482 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35

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
SCHEMBL13229504 0.80 CYP11B1 (0.42)
SCHEMBL3751633 0.79 PARP1 (0.46) L3MBTL1KMT2AMAPTMEN1HTT
SCHEMBL3782517 0.79 NCF1 (0.38) KMT2AMAPTMEN1HTTHDAC8
SCHEMBL7919847 0.79 KMT2A (0.38) L3MBTL1NR4A1NR4A2NR4A3KMT2A
SCHEMBL872746 0.78 PTK2B (0.47) L3MBTL1PTK2BNR4A1NR4A2NR4A3
SCHEMBL13229237 0.78 ERN1 (0.33)
SCHEMBL31285023 0.77 CYP2A6 (0.33) HDAC8
SCHEMBL31284853 0.77 LCLAT1 (0.31)
SCHEMBL31285075 0.77 MRGPRX1 (0.33)
SCHEMBL3417739 0.76 TSHR (0.41) L3MBTL1KMT2AMEN1HTTNPC1

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 L3MBTL1 2385/4885PTK2B 710/4885NR4A1 145/4885
US-20090176828-A1 4-(CONDENSED CYCLICMETHYL)-IMIDAZOLE-2-THIONES ACTING AS ALPHA2 ADRENERGIC AGONISTS ADRB2, ADRA2C, ADRA2A L3MBTL1 1721/4885PTK2B 711/4885NR4A1 125/4885

“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.