SCHEMBL13053110

SCHEMBL13053110

CC(c1c[nH]cn1)c1cccc2nsnc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ ALDH1A1 P00352 8/20 0.35
▸ POLB P06746 1/20 0.35
▸ TXNRD1 Q16881 1/20 0.34
▸ TXNRD3 Q86VQ6 1/20 0.34
▸ TXNRD2 Q9NNW7 1/20 0.34
▸ HPGD P15428 2/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ KMT2A Q03164 6/20 0.32
▸ MEN1 O00255 5/20 0.32
▸ HTT P42858 2/20 0.32
▸ PPARG P37231 1/20 0.32
▸ NCOA2 Q15596 1/20 0.32
▸ NCOA1 Q15788 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ NCOA3 Q9Y6Q9 1/20 0.32
▸ GAA P10253 1/20 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
SCHEMBL645365 0.74 PSMD14 (0.41) MAPTKDM4EHIF1APOLBKMT2A
SCHEMBL10148193 0.73 MAPT (0.52) MAPTKDM4EHSD17B10HIF1AALDH1A1
Medetomidine SCHEMBL26432 0.73 ADRA2A (0.50) TSHRCYP1A2CYP2C9CYP2C19
Medetomidine SCHEMBL18497244 0.73 ADRA2A (0.50) TSHRCYP1A2CYP2C9CYP2C19
Dexmedetomidine SCHEMBL12092460 0.73 ADRA2A (0.50) TSHRCYP1A2CYP2C9CYP2C19
Dexmedetomidine SCHEMBL119382 0.73 ADRA2A (0.50) TSHRCYP1A2CYP2C9CYP2C19
Dexmedetomidine SCHEMBL14861666 0.73 ADRA2A (0.50) TSHRCYP1A2CYP2C9CYP2C19
Medetomidine SCHEMBL787913 0.73 ADRA2A (0.50) TSHRCYP1A2CYP2C9CYP2C19
Dexmedetomidine SCHEMBL29431568 0.73 ADRA2A (0.50) TSHRCYP1A2CYP2C9CYP2C19
Medetomidine SCHEMBL22616139 0.72 ADRA2A (0.49) TSHRCYP1A2CYP2C9CYP2C19

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-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-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

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 MAPT 3172/4885KDM4E 3132/4885HSD17B10 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.

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