SCHEMBL335108

SCHEMBL335108

COc1ccc(C(C)NCCN)cc1CN1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
TACR1 P25103 4/20 0.41
PKM P14618 1/20 0.39
PDE2A O00408 1/20 0.39
LMNA P02545 1/20 0.38
CHRM2 P08172 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD2 P14416 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
CNR1 P21554 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2A P28223 1/20 0.38

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
SCHEMBL336028 0.99 KDM4E (0.53) KDM4ETDP1L3MBTL1MEN1KMT2A
SCHEMBL335840 0.90 HTT (0.44) KDM4ETDP1L3MBTL1MEN1KMT2A
SCHEMBL10243930 0.83 L3MBTL1 (0.50) KDM4ETDP1L3MBTL1MEN1KMT2A
SCHEMBL10243726 0.82 L3MBTL1 (0.52) KDM4ETDP1L3MBTL1MEN1KMT2A
SCHEMBL334300 0.82 CACNA1B (0.52) ALDH1A1TSHRPKMLMNAHTT
SCHEMBL335409 0.77 PKM (0.45) ALDH1A1PKMLMNAADRA1A
SCHEMBL10244428 0.74 ALDH1A1 (0.46) KDM4EL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL22954064 0.72 KDM4E (0.62) KDM4ETDP1L3MBTL1MEN1KMT2A
SCHEMBL335431 0.71 NFKB1 (0.57) TSHRLMNA
Hydrochloric Acid SCHEMBL7563158 0.71 KDM4E (0.64) KDM4ETDP1L3MBTL1MEN1KMT2A

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 KDM4E 128/4885TDP1 2672/4885L3MBTL1 2853/4885

“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.