SCHEMBL2744537

SCHEMBL2744537

Fc1c(Cl)cccc1Cc1c[nH]c(=S)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 1/20 0.38
▸ DAO P14920 2/20 0.37
▸ PCSK9 Q8NBP7 2/20 0.36
▸ GPR84 Q9NQS5 1/20 0.35
▸ CYB5R3 P00387 1/20 0.34
▸ AKR1B1 P15121 1/20 0.34
▸ PSMB8 P28062 1/20 0.33
▸ DBH P09172 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ GFER P55789 1/20 0.31
▸ PNMT P11086 1/20 0.30

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
SCHEMBL2745094 0.79 TAAR1 (0.41) DAOGPR84CYB5R3PSMB8KDM4E
SCHEMBL2744661 0.78 DAO (0.44) DAOPCSK9GPR84KDM4EGAA
SCHEMBL22287928 0.74 MPO (0.41) MPODAOPCSK9GPR84AKR1B1
SCHEMBL16020968 0.72 MPO (0.39) MPODAOPCSK9AKR1B1PNMT
SCHEMBL16016415 0.72 MPO (0.39) MPODAOPCSK9GPR84AKR1B1
SCHEMBL3747948 0.72 ADRA2A (0.53) KDM4EGAAGFER
SCHEMBL2744736 0.71 ADRA1D (0.55) —
SCHEMBL14066591 0.70 SLC22A4 (0.42) MPODAOKDM4EGAAGFER
SCHEMBL16016404 0.69 HRH1 (0.40) MPOAKR1B1
SCHEMBL7497069 0.69 PCSK9 (0.60) MPOPCSK9

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120196911-A1 UNSUBSTITUTED AND SUBSTITUTED 4-BENZYL-1,3-DIHYDRO-IMIDAZOLE-2-THIONES ACTING AS SPECIFIC OR SELECTIVE ALPHA2 ADRENERGIC AGONISTS AND METHODS FOR USING THE SAME ALLERGAN, INC. (US) 2012-08-02 — — US disclosed
US-20120196911-A1 UNSUBSTITUTED AND SUBSTITUTED 4-BENZYL-1,3-DIHYDRO-IMIDAZOLE-2-THIONES ACTING AS SPECIFIC OR SELECTIVE ALPHA2 ADRENERGIC AGONISTS AND METHODS FOR USING THE SAME ALLERGAN, INC. (US) 2012-08-02 — — US disclosed
US-8178571-B2 Unsubstituted and substituted 4-benzyl-1,3-dihydro-imidazole-2-thiones acting as specific or selective alpha2 adrenergic agonists and methods for using the same ALLERGAN, INC. (US) 2012-05-15 — — US disclosed
US-8178571-B2 Unsubstituted and substituted 4-benzyl-1,3-dihydro-imidazole-2-thiones acting as specific or selective alpha2 adrenergic agonists and methods for using the same ALLERGAN, INC. (US) 2012-05-15 — — US disclosed
US-8178571-B2 Unsubstituted and substituted 4-benzyl-1,3-dihydro-imidazole-2-thiones acting as specific or selective alpha2 adrenergic agonists and methods for using the same ALLERGAN, INC. (US) 2012-05-15 — — US disclosed
US-20100298395-A1 UNSUBSTITUTED AND SUBSTITUTED 4-BENZYL-1,3-DIHYDRO-IMIDAZOLE-2-THIONES ACTING AS SPECIFIC OR SELECTIVE ALPHA2 ADRENERGIC AGONISTS AND METHODS FOR USING THE SAME ALLERGAN, INC. (US) 2010-11-25 — — US disclosed
US-20100298395-A1 UNSUBSTITUTED AND SUBSTITUTED 4-BENZYL-1,3-DIHYDRO-IMIDAZOLE-2-THIONES ACTING AS SPECIFIC OR SELECTIVE ALPHA2 ADRENERGIC AGONISTS AND METHODS FOR USING THE SAME ALLERGAN, INC. (US) 2010-11-25 — — US disclosed
US-20100298395-A1 UNSUBSTITUTED AND SUBSTITUTED 4-BENZYL-1,3-DIHYDRO-IMIDAZOLE-2-THIONES ACTING AS SPECIFIC OR SELECTIVE ALPHA2 ADRENERGIC AGONISTS AND METHODS FOR USING THE SAME ALLERGAN, INC. (US) 2010-11-25 — — US disclosed
US-7795292-B2 Unsubstituted and substituted 4-benzyl-1,3-dihydro-imidazole-2-thiones acting as specific or selective alpha2 adrenergic agonists and methods for using the same ALLERGAN, INC. (US) 2010-09-14 — — US disclosed
US-7795292-B2 Unsubstituted and substituted 4-benzyl-1,3-dihydro-imidazole-2-thiones acting as specific or selective alpha2 adrenergic agonists and methods for using the same ALLERGAN, INC. (US) 2010-09-14 — — US disclosed
US-7795292-B2 Unsubstituted and substituted 4-benzyl-1,3-dihydro-imidazole-2-thiones acting as specific or selective alpha2 adrenergic agonists and methods for using the same ALLERGAN, INC. (US) 2010-09-14 — — US disclosed
EP-1797044-A2 UNSUBSTITUTED AND SUBSTITUTED 4-BENZYL-1,3-DIHYDRO-IMIDAZOLE-2-THIONES ACTING AS SPECIFIC OR SELECTIVE ALPHA2 ADRENERGIC AGONISTS AND METHODS FOR USING THE SAME Allergan, Inc. (US) 2007-06-20 — — EP disclosed
WO-2006036512-A2 UNSUBSTITUTED AND SUBSTITUTED 4-BENZYL-1,3-DIHYDRO-IMIDAZOLE-2-THIONES ACTING AS SPECIFIC OR SELECTIVE ALPHA2 ADRENERGIC AGONISTS AND METHODS FOR USING THE SAME ALLERGAN, INC. (US) 2006-04-06 — — WO disclosed
US-20060069142-A1 Unsubstituted and substituted 4-benzyl-1,3-dihydro-imidazole-2-thiones acting as specific or selective alpha2 adrenergic agonists and methods for using the same 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 (3 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-20060069142-A1 Unsubstituted and substituted 4-benzyl-1,3-dihydro-imidazole-2-thiones acting as specific or selective alpha2 adrenergic agonists and methods for using the same ADRB2, ADRB1, ADRA2C MPO 4754/4885DAO 1771/4885PCSK9 4013/4885
US-20100298395-A1 UNSUBSTITUTED AND SUBSTITUTED 4-BENZYL-1,3-DIHYDRO-IMIDAZOLE-2-THIONES ACTING AS SPECIFIC OR SELECTIVE ALPHA2 ADRENERGIC AGONISTS AND METHODS FOR USING THE SAME ADRB2, ADRB1, ADRA2C MPO 4754/4885DAO 1771/4885PCSK9 4013/4885
US-20120196911-A1 UNSUBSTITUTED AND SUBSTITUTED 4-BENZYL-1,3-DIHYDRO-IMIDAZOLE-2-THIONES ACTING AS SPECIFIC OR SELECTIVE ALPHA2 ADRENERGIC AGONISTS AND METHODS FOR USING THE SAME ADRB2, ADRB1, ADRA2C MPO 4754/4885DAO 1771/4885PCSK9 4013/4885

“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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