SCHEMBL336063

SCHEMBL336063

CCOc1ccc(C(C)N(CC)CCN)cc1CN1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HIF1A Q16665 1/20 0.44
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
PAX8 Q06710 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CCR5 P51681 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KCNH2 Q12809 2/20 0.37
CYP2D6 P10635 1/20 0.37
POLB P06746 1/20 0.37
CXCR3 P49682 1/20 0.36
HPGD P15428 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL336346 0.90 ALDH1A1 (0.41) KDM4EALDH1A1MEN1KMT2ACCR5
SCHEMBL10244408 0.83 PAX8 (0.43) NPSR1KDM4EHIF1ARAB9AALDH1A1
SCHEMBL10243900 0.75 S1PR1 (0.44) KDM4EALDH1A1SMN1; SMN2PAX8MEN1
SCHEMBL10244303 0.73 ALDH1A1 (0.43) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL334803 0.73 RORC (0.44) KDM4EHIF1ARAB9AALDH1A1SMN1; SMN2
SCHEMBL334377 0.68 NQO1 (0.44) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL335840 0.68 HTT (0.44) NPSR1KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL334977 0.68 ALDH1A1 (0.59) NPSR1KDM4EHIF1ARAB9AALDH1A1
SCHEMBL334645 0.68 ALDH1A1 (0.52) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL4256880 0.67 RAB9A (0.55) NPSR1KDM4EHIF1ARAB9AALDH1A1

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 NPSR1 2990/4885KDM4E 128/4885HIF1A 2687/4885

“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.