SCHEMBL334453

SCHEMBL334453

CCN(CCN)C(C)c1cnccn1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 10/20 0.38
CYP2D6 P10635 5/20 0.36
KCNA5 P22460 2/20 0.36
KCNE1 P15382 1/20 0.36
HRH1 P35367 5/20 0.34
KCNH2 Q12809 3/20 0.34
CHRM1 P11229 1/20 0.34
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL10243404 0.74 KDM4E (0.34) KDM4E
SCHEMBL335056 0.74 KCNA5 (0.44) KCNA5KDM4EALDH1A1SMN1; SMN2
SCHEMBL335078 0.73 CXCR4 (0.32) CXCR4CYP2D6KCNA5KCNE1CHRM1
SCHEMBL334298 0.72 SMN1; SMN2 (0.34) CYP2D6KCNA5KCNE1SMN1; SMN2
SCHEMBL335194 0.70 CYP1A2 (0.39) CYP2D6
SCHEMBL1132541 0.70 CYP1A2 (0.36) CYP2D6
SCHEMBL335843 0.70 CYP2D6 (0.36) CYP2D6HRH1KCNH2CHRM1
SCHEMBL294332 0.66 RAB9A (0.41) CYP2D6HRH1KCNH2CHRM1POLB
SCHEMBL10115951 0.66 RAB9A (0.41) CYP2D6HRH1KCNH2CHRM1POLB
SCHEMBL12694263 0.66 RAB9A (0.41) CYP2D6HRH1KCNH2CHRM1POLB

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 CXCR4 1537/4885CYP2D6 1574/4885KCNA5 1591/4885

“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.