SCHEMBL30178403

SCHEMBL30178403

CCOC(=O)CCCOc1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.56
KMT2A Q03164 1/20 0.53
CHRNB2 P17787 4/20 0.51
CHRNA4 P43681 4/20 0.51
CYSLTR2 Q9NS75 3/20 0.50
CYSLTR1 Q9Y271 3/20 0.50
GRM2 Q14416 1/20 0.49
CCNC P24863 1/20 0.49
CDK8 P49336 1/20 0.49
FAAH O00519 2/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL11034681 0.94 TBXAS1 (0.60) TBXAS1KMT2ACHRNB2CHRNA4CYSLTR2
SCHEMBL12480735 0.94 TBXAS1 (0.60) TBXAS1KMT2ACHRNB2CHRNA4CYSLTR2
SCHEMBL15426554 0.84 KMT2A (0.54) KMT2ACHRNB2CHRNA4CCNCCDK8
SCHEMBL6067800 0.84 TSHR (0.58) TBXAS1CHRNB2CHRNA4GRM2CCNC
SCHEMBL7994994 0.82 CYSLTR2 (0.54) TBXAS1KMT2ACYSLTR2CYSLTR1FAAH
SCHEMBL767042 0.82 TDP1 (0.62) CYSLTR2CYSLTR1FAAHLMNATSHR
SCHEMBL15429530 0.79 CHRNB2 (0.50) KMT2ACHRNB2CHRNA4GRM2
SCHEMBL7892601 0.79 NCOA1 (0.52) KMT2ACHRNB2CHRNA4CCNCCDK8
SCHEMBL10622938 0.78 TBXAS1 (0.57) TBXAS1KMT2ATSHR
SCHEMBL5491821 0.77 LTA4H (0.62) CYSLTR2CYSLTR1FAAHTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230002395-A1 AZABENZIMIDAZOLE COMPOUND AND MEDICINE NIPPON SHINYAKU CO., LTD. (JP) 2023-01-05 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-20230002395-A1 AZABENZIMIDAZOLE COMPOUND AND MEDICINE PAM, CHRM3, AZI2 TBXAS1 3935/4885KMT2A 1035/4885CHRNB2 900/4885

“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.