SCHEMBL3185774

SCHEMBL3185774

c1cc([N]c2ccsc2)cs1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.54
ADRA2B P18089 2/20 0.54
ADRA2C P18825 2/20 0.54
CYP2A6 P11509 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
CYP2E1 P05181 1/20 0.36
CYP2B6 P20813 1/20 0.36
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
DAO P14920 1/20 0.35
TAAR1 Q96RJ0 1/20 0.33
HDAC1 Q13547 1/20 0.31
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
KCNH2 Q12809 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
SCHEMBL9491971 0.77
SCHEMBL15285328 0.71
SCHEMBL30853512 0.68 TDP1 (0.61) ADRA2AADRA2BADRA2CL3MBTL1TAAR1
SCHEMBL29398336 0.58
SCHEMBL19160171 0.58
SCHEMBL980789 0.58
SCHEMBL595580 0.58
SCHEMBL28873654 0.58
SCHEMBL28686800 0.58 CYP2A6 (0.38) ADRA2AADRA2BADRA2CCYP2A6L3MBTL1
Lithium Ion SCHEMBL9298871 0.56

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7659416-B2 Monomolecular conductive complex, conductive self-assembled film and assembly of electrode composed of metal and semiconductor making use of the same TOKYO INSTITUTE OF TECHNOLOGY (JP) 2010-02-09 US disclosed
US-20090036698-A1 Monomolecular Conductive Complex, Conductive Self-Assembled Film and Assembly of Electrode Composed of Metal and Semiconductor Making Use of the Same TOKYO INSTITUTE OF TECHNOLOGY 2009-02-05 US disclosed
EP-1862453-A1 MONOMOLECULAR CONDUCTIVE COMPLEX, CONDUCTIVE SELF-ASSEMBLED FILM AND ASSEMBLY OF ELECTRODE COMPOSED OF METAL AND SEMICONDUCTOR MAKING USE OF THE SAME Tokyo Institute of Technology (JP) 2007-12-05 EP 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-20090036698-A1 Monomolecular Conductive Complex, Conductive Self-Assembled Film and Assembly of Electrode Composed of Metal and Semiconductor Making Use of the Same CNTN1, GAP43, AP3M1 ADRA2A 4461/4885ADRA2B 3978/4885ADRA2C 3950/4885

“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.