SCHEMBL10245065

SCHEMBL10245065

CC(C)(C)NCCNCCCO

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.36
MEN1 O00255 1/20 0.36
GLA P06280 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.33
PTGS1 P23219 1/20 0.33
KCNH2 Q12809 1/20 0.33
CASP2 P42575 1/20 0.31
TSHR P16473 1/20 0.31
SAT1 P21673 1/20 0.30
CA3 P07451 1/20 0.30
CA5A P35218 1/20 0.30
CA5B Q9Y2D0 1/20 0.30
POLB P06746 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
SCHEMBL10245302 0.85 KDM4E (0.35) ALDH1A1KDM4E
SCHEMBL2000597 0.85
Water SCHEMBL3302088 0.82 PTGS1 (0.36) TDP1ALDH1A1PTGS1KCNH2POLB
Bromide SCHEMBL21248489 0.82 PTGS1 (0.36) TDP1ALDH1A1PTGS1KCNH2POLB
SCHEMBL5035490 0.82 CYP2C19 (0.35) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL4908355 0.82 CYP2C19 (0.35) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL19287116 0.82 CYP2C19 (0.35) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL4915897 0.82 CYP2C19 (0.35) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL10245406 0.81 CYP2C19 (0.42) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL9821164 0.79 CASP2 (0.44) CYP2C19MEN1GLAKMT2ACYP1A2

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-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

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 CYP2C19 262/4885MEN1 2456/4885GLA 141/4885

“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.