SCHEMBL2002837

SCHEMBL2002837

CCCCCCC=Cc1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.62
CHRNB2 P17787 2/20 0.60
CHRNA4 P43681 2/20 0.60
CHRNB4 P30926 1/20 0.60
CHRNA3 P32297 1/20 0.60
CHRNA7 P36544 1/20 0.60
MEN1 O00255 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
ALOX15 P16050 1/20 0.60
CYP2C19 P33261 1/20 0.60
KMT2A Q03164 1/20 0.60
FAAH O00519 5/20 0.49
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL10984953 1.00 TBXAS1 (0.62) TBXAS1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL29187188 1.00 TBXAS1 (0.62) TBXAS1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL27624949 1.00 TBXAS1 (0.62) TBXAS1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL10981662 1.00 TBXAS1 (0.62) TBXAS1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL2002836 1.00 TBXAS1 (0.62) TBXAS1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL10981660 1.00 TBXAS1 (0.62) TBXAS1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL10984950 1.00 TBXAS1 (0.62) TBXAS1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL2302782 0.93 CHRNB2 (0.64) TBXAS1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7520275 0.93 CHRNB2 (0.64) TBXAS1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL6966605 0.93 CHRNB2 (0.64) TBXAS1CHRNB2CHRNA4CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960571-B2 Silicon-based cross-coupling reagent and production method of organic compound using the same KYOTO UNIVERSITY (JP) 2011-06-14 US disclosed
US-20090069577-A1 Silicon-Based Cross-Coupling Reagent and Production Method of Organic Compound Using the Same KYOTO UNIVERSITY (JP) 2009-03-12 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 (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-20090069577-A1 Silicon-Based Cross-Coupling Reagent and Production Method of Organic Compound Using the Same DNMT1, TET3, CTCF TBXAS1 3207/4885CHRNB2 4162/4885CHRNA4 4060/4885

“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.