SCHEMBL336346

SCHEMBL336346

CCOc1ccc(C(C)N(CC)CCN)cc1CN1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
PKM P14618 2/20 0.41
TSHR P16473 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.35
S1PR1 P21453 2/20 0.35
HRH3 Q9Y5N1 2/20 0.34
CCR5 P51681 1/20 0.34
ATM Q13315 1/20 0.34
S1PR3 Q99500 1/20 0.34
CXCR3 P49682 1/20 0.34
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2B P41595 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL336063 0.90 NPSR1 (0.44) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL10244303 0.83 ALDH1A1 (0.43) ALDH1A1PKMTSHRMAPTHTT
SCHEMBL10244047 0.74 L3MBTL1 (0.47) ALDH1A1PKMTSHRMAPTHTT
SCHEMBL10244408 0.73 PAX8 (0.43) ALDH1A1TSHRMAPTKDM4EMEN1
SCHEMBL10243957 0.73 L3MBTL1 (0.46) ALDH1A1PKMTSHRMAPTHTT
SCHEMBL27542208 0.70 KDM4E (0.74) ALDH1A1TSHRKDM4ETDP1MEN1
SCHEMBL334377 0.70 NQO1 (0.44) ALDH1A1TSHRKDM4ETDP1MEN1
SCHEMBL10244033 0.69 CACNA1B (0.49) ALDH1A1PKMTSHRHTTMEN1
SCHEMBL31581080 0.69 KDM4E (0.60) ALDH1A1TSHRMAPTKDM4ETDP1
SCHEMBL336196 0.68 CYP1A2 (0.36) PKMS1PR1CXCR3CYP1A2

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 ALDH1A1 1939/4885PKM 4614/4885TSHR 1567/4885

“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.