SCHEMBL3753757

SCHEMBL3753757

Cc1c(C(C)c2c[nH]c(=S)[nH]2)ccc2cccnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ LMNA P02545 4/20 0.38
▸ CCR1 P32246 3/20 0.38
▸ CCR5 P51681 3/20 0.38
▸ CCR8 P51685 3/20 0.38
▸ TP53 P04637 3/20 0.38
▸ HSP90AA1 P07900 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ ALOX15 P16050 2/20 0.38
▸ HIF1A Q16665 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ GMNN O75496 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NFKB1 P19838 1/20 0.38

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
SCHEMBL3747180 0.87 PSMD14 (0.38) MAPTKDM4ELMNACCR1CCR5
SCHEMBL13052885 0.74 OGA (0.43) CYP3A4HTTCYP2D6ALDH1A1CYP2C19
SCHEMBL27251616 0.74 CCR1 (0.54) MAPTKDM4ELMNACCR1CCR5
SCHEMBL3745393 0.72 LMNA (0.41) MAPTKDM4ELMNACCR1CCR5
Rezatomidine SCHEMBL7799658 0.72 ADRA2A (0.53) MAPTKDM4ETP53CYP3A4ALOX15
Rezatomidine SCHEMBL676215 0.72 ADRA2A (0.53) MAPTKDM4ETP53CYP3A4ALOX15
SCHEMBL13052897 0.72 MET (0.44) ALDH1A1NPC1RAB9A
SCHEMBL3749391 0.70 ADRA2A (0.55) ALDH1A1CYP2C9CYP2C19
SCHEMBL27684244 0.68 KDM4E (0.35) MAPTKDM4ELMNACCR1CCR5
SCHEMBL3747177 0.65 KDM4E (0.36) MAPTKDM4ETP53CYP3A4HIF1A

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 10 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
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 MAPT 4188/4885KDM4E 2607/4885LMNA 2429/4885
US-20090176828-A1 4-(CONDENSED CYCLICMETHYL)-IMIDAZOLE-2-THIONES ACTING AS ALPHA2 ADRENERGIC AGONISTS ADRB2, ADRA2C, ADRA2A MAPT 3172/4885KDM4E 3132/4885LMNA 2478/4885

“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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