SCHEMBL2744943

SCHEMBL2744943

Fc1ccc(Cc2c[nH]c(=S)[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ GAA P10253 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ DAO P14920 4/20 0.41
▸ TYMP P19971 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ DBH P09172 1/20 0.38
▸ IDO1 P14902 1/20 0.34
▸ LOXL2 Q9Y4K0 1/20 0.34
▸ SLC22A4 Q9H015 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ MPO P05164 1/20 0.33
▸ TPO P07202 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ GFER P55789 1/20 0.32
▸ PLA2G1B P04054 1/20 0.32
▸ ATG4B Q9Y4P1 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
SCHEMBL2744617 0.81 SMN1; SMN2 (0.56) ALDH1A1GAAHPGDDAOTYMP
SCHEMBL2744661 0.71 DAO (0.44) ALDH1A1GAADAOIDO1SLC22A4
SCHEMBL29128318 0.69 DRD2 (0.34) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL2744537 0.67 MPO (0.38) GAADAODBHMPOKDM4E
SCHEMBL16561361 0.67 IDO1 (0.58) ALDH1A1LMNADAOIDO1LOXL2
SCHEMBL1468357 0.67 IDO1 (0.58) ALDH1A1LMNADAOIDO1LOXL2
SCHEMBL3343038 0.67 GFER (0.64) ALDH1A1GAAMAPTHPGDSMN1; SMN2
SCHEMBL751765 0.67 DAO (0.44) ALDH1A1GAALMNAMAPTPKM
SCHEMBL29181384 0.66 SLC22A4 (0.37) MAPTSMN1; SMN2SLC22A4
SCHEMBL2745094 0.66 TAAR1 (0.41) GAALMNADAOSMN1; SMN2SLC22A4

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 12 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
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 ALDH1A1 417/4885GAA 3411/4885LMNA 3646/4885
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 ALDH1A1 417/4885GAA 3411/4885LMNA 3646/4885
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 ALDH1A1 417/4885GAA 3411/4885LMNA 3646/4885

“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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