SCHEMBL2744661

SCHEMBL2744661

Fc1ccccc1Cc1c[nH]c(=S)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ F2 P00734 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ TAAR1 Q96RJ0 2/20 0.37
▸ PCSK9 Q8NBP7 1/20 0.37
▸ AR P10275 1/20 0.36
▸ IDO1 P14902 2/20 0.35
▸ GPR84 Q9NQS5 2/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ SLC22A4 Q9H015 1/20 0.35
▸ P2RX7 Q99572 1/20 0.34

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
SCHEMBL2744537 0.78 MPO (0.38) DAOKDM4EGAAGFERPCSK9
SCHEMBL3747948 0.77 ADRA2A (0.53) KDM4EALDH1A1GAAGFERTAAR1
SCHEMBL14066591 0.74 SLC22A4 (0.42) DAOKDM4EALDH1A1GAAGFER
SCHEMBL2744943 0.71 ALDH1A1 (0.46) DAOKDM4EALDH1A1GAAGFER
SCHEMBL20117714 0.71 DAO (0.49) DAOKDM4EALDH1A1F2TAAR1
SCHEMBL3301625 0.70 TAAR1 (0.59) DAOKDM4EALDH1A1TAAR1AR
SCHEMBL2744493 0.69 PTGDR2 (0.37) DAOKDM4EGAAGFERIDO1
SCHEMBL3747110 0.69 DAO (0.41) DAOKDM4EALDH1A1
SCHEMBL3747917 0.68 MTNR1A (0.41) DAOKDM4E
SCHEMBL3746960 0.68 KDM4E (0.38) KDM4EALDH1A1

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 DAO 1771/4885KDM4E 3761/4885ALDH1A1 417/4885
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 DAO 1771/4885KDM4E 3761/4885ALDH1A1 417/4885
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 DAO 1771/4885KDM4E 3761/4885ALDH1A1 417/4885

“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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