SCHEMBL335822

SCHEMBL335822

O=C(NCCC[C@@H]1CO1)c1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.53
PPARG P37231 1/20 0.53
DRD3 P35462 4/20 0.52
DRD2 P14416 2/20 0.52
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HDAC8 Q9BY41 2/20 0.48
MMP3 P08254 1/20 0.48
SLC6A4 P31645 1/20 0.47
ITPR1 Q14643 1/20 0.47
PLK1 P53350 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46

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
SCHEMBL10507471 0.84 DRD3 (0.50) HPGDPPARGDRD3DRD2NPC1
SCHEMBL31175086 0.83 ALDH1A1 (0.63) HPGDNPC1ALDH1A1HDAC8MMP3
SCHEMBL960555 0.83 ALDH1A1 (0.63) HPGDNPC1ALDH1A1HDAC8MMP3
SCHEMBL20734835 0.81 HPGD (0.66) HPGDPPARGDRD3ALDH1A1HDAC8
SCHEMBL3643350 0.79 HPGD (0.62) HPGDPPARGDRD3ALDH1A1HDAC8
SCHEMBL1093718 0.77 TSHR (0.73) HPGDPPARGDRD3DRD2HDAC8
SCHEMBL30301313 0.77 TSHR (0.73) HPGDPPARGDRD3DRD2HDAC8
SCHEMBL5110122 0.77 HPGD (0.61) HPGDPPARGDRD3ALDH1A1HDAC8
SCHEMBL17514068 0.77 HPGD (0.61) HPGDPPARGDRD3ALDH1A1HDAC8
SCHEMBL14058606 0.76 TSHR (0.66) HPGDPPARGDRD3HDAC8MMP3

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 HPGD 556/4885PPARG 2159/4885DRD3 1207/4885

“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.