SCHEMBL4403574

SCHEMBL4403574

Fc1ccccc1Cc1cnc[nH]1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 5/20 0.61
ADRA2A P08913 2/20 0.61
ADRA2B P18089 2/20 0.61
ADRA2C P18825 2/20 0.61
ADRA1A P35348 2/20 0.61
ADRA1B P35368 2/20 0.61
HRH3 Q9Y5N1 8/20 0.58
TAAR1 Q96RJ0 3/20 0.58
HRH4 Q9H3N8 3/20 0.51
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP19A1 P11511 1/20 0.47
DAO P14920 1/20 0.45

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
SCHEMBL2626817 0.80 ADRA1D (0.63) ADRA1DADRA2AADRA2BADRA2CADRA1A
SCHEMBL2626818 0.79 ADRA1D (0.61) ADRA1DADRA2AADRA2BADRA2CADRA1A
SCHEMBL2626861 0.78 ADRA2A (0.49) ADRA1DADRA2AADRA2BADRA2CADRA1A
SCHEMBL2744736 0.77 ADRA1D (0.55) ADRA1DADRA2AADRA2BADRA2CADRA1A
SCHEMBL2626853 0.76 HRH3 (0.59) ADRA1DADRA2AADRA2BADRA2CADRA1A
SCHEMBL21401254 0.76 ADRA1D (1.00) ADRA1DADRA2AADRA2BADRA2CADRA1A
SCHEMBL2626804 0.73 DAO (0.50) ADRA1DADRA2AADRA2BADRA2CADRA1A
SCHEMBL2626849 0.73 CYP19A1 (0.55) HRH3TAAR1CYP11B1CYP11B2CYP19A1
SCHEMBL1034848 0.73 HRH3 (1.00) HRH3TAAR1HRH4CYP3A4MAPT
SCHEMBL15016058 0.73 ADRA1D (0.53) ADRA1DADRA2AADRA2BADRA2CADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110267949-A SGC stimulant 塞科里昂医疗股份有限公司 2019-09-20 CN 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-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

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-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 ADRA1D 9/4885ADRA2A 4/4885ADRA2B 6/4885
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 ADRA1D 9/4885ADRA2A 4/4885ADRA2B 6/4885

“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.