SCHEMBL335194

SCHEMBL335194

CCN(CCN)C(C)c1cnccc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.39
CYP2E1 P05181 3/20 0.39
CYP2A6 P11509 3/20 0.39
CYP2B6 P20813 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP2C9 P11712 1/20 0.39
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C8 P10632 1/20 0.36
CA14 Q9ULX7 1/20 0.34
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
AOC1 P19801 1/20 0.30
AOC3 Q16853 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA1A P35348 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
SCHEMBL1132541 0.89 CYP1A2 (0.36) CYP1A2CYP2E1CYP2A6CYP2B6CYP2C19
SCHEMBL334999 0.81 TAAR1 (0.41) CA12CA1CA2CA9CA14
SCHEMBL1132754 0.81 TAAR1 (0.41) CA12CA1CA2CA9CA14
SCHEMBL10243549 0.79 TMEM97 (0.34) CYP2C19CYP2C9CYP2D6ADRA2A
SCHEMBL1132606 0.76 CYP2D6 (0.40) CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL334953 0.73 ALDH1A1 (0.39) CYP1A2CYP2C19CA1CA2CYP2D6
SCHEMBL334298 0.73 SMN1; SMN2 (0.34) CYP2C19CYP2D6
SCHEMBL1132792 0.73 CYP2D6 (0.40) CYP2D6SLC6A2
SCHEMBL13178689 0.73 CA12 (0.42) CYP1A2CYP2E1CYP2A6CYP2B6CYP2C19
SCHEMBL335464 0.72 ACHE (0.41) CA1CA2

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-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 US disclosed
EP-1985620-A1 10a-AZALIDE COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2008-10-29 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-20090281292-A1 10a-Azalide Compound IL17A, AZI2, HDAC9 CYP1A2 1928/4885CYP2E1 2610/4885CYP2A6 1339/4885

“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.