SCHEMBL13052946

SCHEMBL13052946

C=C1NC=C(C(C)c2cccc3ncccc23)N1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ADRA2A P08913 2/20 0.34
▸ ADRA2B P18089 2/20 0.34
▸ ADRA2C P18825 2/20 0.34
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ ACVR1 Q04771 3/20 0.32
▸ P2RX7 Q99572 2/20 0.31

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
SCHEMBL13052937 0.80 PSMD14 (0.38) POLBMAPTKDM4EADRA2AADRA2B
SCHEMBL13052974 0.79 ADRA2A (0.44) ADRA2AADRA2BADRA2CALDH1A1CYP1A2
SCHEMBL14439671 0.73 ADRA2A (0.42) ADRA2AADRA2BADRA2CCYP1A2
SCHEMBL30994907 0.71 MAPT (0.52) POLBMAPTKDM4EMEN1KMT2A
SCHEMBL84436 0.71 MAPT (0.52) POLBMAPTKDM4EMEN1KMT2A
SCHEMBL16154381 0.71 KDM4E (0.47) POLBMAPTKDM4EADRA2AADRA2B
SCHEMBL14066644 0.69 LMNA (0.41) MAPTKDM4EADRA2AADRA2BADRA2C
SCHEMBL23641430 0.69 MAPT (0.48) POLBMAPTKDM4EMEN1KMT2A
SCHEMBL1253268 0.69 MAPT (0.48) POLBMAPTKDM4EMEN1KMT2A
SCHEMBL3747011 0.69 KDM4E (0.48) POLBMAPTKDM4EMEN1KMT2A

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 3 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

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-20090176828-A1 4-(CONDENSED CYCLICMETHYL)-IMIDAZOLE-2-THIONES ACTING AS ALPHA2 ADRENERGIC AGONISTS ADRB2, ADRA2C, ADRA2A POLB 2451/4885MAPT 3172/4885KDM4E 3132/4885

“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.

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