SCHEMBL335399

SCHEMBL335399

CC(NCCN)c1ccc(OCC(=O)N(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
ACACB O00763 8/20 0.46
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 2/20 0.40
LOXL2 Q9Y4K0 2/20 0.40
ACACA Q13085 1/20 0.40
TSHR P16473 1/20 0.40
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
SRD5A2 P31213 1/20 0.39

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
SCHEMBL335085 0.87 NPC1 (0.51) ACACBALDH1A1KDM4ERAB9ALMNA
SCHEMBL10243759 0.84 SMN1; SMN2 (0.46) SMN1; SMN2ACACBALDH1A1HPGDKDM4E
SCHEMBL25017266 0.78 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1HPGDKDM4ETP53
SCHEMBL335329 0.78 ALDH1A1 (0.56) ALDH1A1HPGDKDM4ERAB9ALMNA
SCHEMBL334936 0.75 FKBP1A (0.69) SMN1; SMN2ALDH1A1HPGDKDM4ERAB9A
SCHEMBL18575578 0.74 HTR1A (0.50) SMN1; SMN2ALDH1A1LMNA
SCHEMBL18575437 0.74 PKM (0.57) SMN1; SMN2ACACBALDH1A1LMNA
SCHEMBL8320409 0.72 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1HPGDKDM4ETP53
SCHEMBL10244841 0.72 TRPM8 (0.48) ACACBRAB9A
SCHEMBL334522 0.70 KMT2A (0.41) SMN1; SMN2ALDH1A1TP53HSD17B10RAB9A

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 SMN1; SMN2 3120/4885ACACB 4596/4885ALDH1A1 1939/4885

“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.