SCHEMBL13052937

SCHEMBL13052937

C=C1NC=C(C(C)c2cccc3cccnc23)N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMD14 O00487 1/20 0.38
▸ COPS5 Q92905 1/20 0.38
▸ MMP2 P08253 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ HSP90AA1 P07900 2/20 0.36
▸ GMNN O75496 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ MMP8 P22894 1/20 0.36
▸ CCR1 P32246 1/20 0.36
▸ THPO P40225 1/20 0.36

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
SCHEMBL13052946 0.80 POLB (0.35) LMNAKDM4EMAPTHTTHSP90AA1
SCHEMBL13052974 0.77 ADRA2A (0.44) ADRA1AADRA2AADRA2BADRA2C
SCHEMBL14439671 0.74 ADRA2A (0.42) TSHRTP53CYP3A4CYP2D6ADRA1A
SCHEMBL27505099 0.71 PSMD14 (0.52) PSMD14COPS5MMP2TSHRLMNA
SCHEMBL84502 0.70 PSMD14 (0.55) PSMD14COPS5MMP2TSHRLMNA
SCHEMBL31490195 0.70 PSMD14 (0.55) PSMD14COPS5MMP2TSHRLMNA
SCHEMBL16154377 0.70 PSMD14 (0.47) PSMD14COPS5MMP2TSHRLMNA
SCHEMBL19457173 0.68 PSMD14 (0.48) PSMD14COPS5MMP2TSHRLMNA
SCHEMBL17541536 0.68 PSMD14 (0.52) PSMD14COPS5MMP2TSHRLMNA
SCHEMBL21369324 0.68 PSMD14 (0.52) PSMD14COPS5MMP2TSHRLMNA

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 PSMD14 3162/4885COPS5 2815/4885MMP2 4204/4885

“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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