SCHEMBL10243391

SCHEMBL10243391

CC(C)(C)CC(=O)NCCCc1ccnc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.45
MTNR1A P48039 15/20 0.45
MTNR1B P49286 15/20 0.45
FLT1 P17948 1/20 0.42
KDR P35968 1/20 0.42

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
SCHEMBL2844641 0.81 CYP1A2 (0.49) CASP1MTNR1AMTNR1BFLT1KDR
SCHEMBL12304975 0.81 NAMPT (0.49) CASP1MTNR1AMTNR1B
SCHEMBL2846544 0.78 CYP1A2 (0.48) CASP1MTNR1AMTNR1BFLT1KDR
SCHEMBL19563522 0.77 CYP3A4 (0.49)
SCHEMBL12566028 0.77 LOXL2 (0.47) CASP1FLT1KDR
SCHEMBL2841416 0.76 HTR1A (0.49) CASP1MTNR1AMTNR1BFLT1KDR
SCHEMBL12251101 0.75 LOXL2 (0.51) FLT1KDR
SCHEMBL21879311 0.75 HTT (0.56) KDR
SCHEMBL7829190 0.74 HDAC1 (0.60)
SCHEMBL7834671 0.74 HDAC1 (0.60)

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 CASP1 717/4885MTNR1A 2892/4885MTNR1B 2314/4885

“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.