SCHEMBL335840

SCHEMBL335840

COc1ccc(C(C)NCCN)cc1CN1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 5/20 0.42
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 3/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
DRD3 P35462 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL335108 0.90 KDM4E (0.51) HTTMAPTKDM4EALDH1A1LMNA
SCHEMBL336028 0.89 KDM4E (0.53) HTTMAPTKDM4EALDH1A1KMT2A
SCHEMBL10244428 0.84 ALDH1A1 (0.46) HTTMAPTKDM4EALDH1A1LMNA
SCHEMBL922423 0.74 HTT (0.55) HTTMAPTKDM4EALDH1A1LMNA
SCHEMBL335409 0.74 PKM (0.45) ALDH1A1LMNA
SCHEMBL10243930 0.74 L3MBTL1 (0.50) HTTMAPTKDM4EALDH1A1KMT2A
SCHEMBL10243726 0.73 L3MBTL1 (0.52) HTTMAPTKDM4EALDH1A1KMT2A
Hydrochloric Acid SCHEMBL7562401 0.73 HTT (0.53) HTTNPSR1MAPTKDM4EALDH1A1
SCHEMBL334300 0.72 CACNA1B (0.52) HTTALDH1A1LMNAHSD17B10GAA
SCHEMBL16400206 0.72 KDM4E (0.74) HTTMAPTKDM4EALDH1A1LMNA

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 HTT 868/4885NPSR1 2990/4885MAPT 4302/4885

“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.