SCHEMBL334949

SCHEMBL334949

O=C(O)N(Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CO1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
LMNA P02545 4/20 0.52
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
PRMT5 O14744 1/20 0.47
WDR77 Q9BQA1 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
POLB P06746 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PKM P14618 2/20 0.46
KDM4E B2RXH2 2/20 0.46
HTT P42858 2/20 0.46
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
SLC2A1 P11166 1/20 0.44

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
SCHEMBL334445 0.81 MEN1 (0.50) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL334420 0.80 PTGES (0.51) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL15265399 0.77 ALDH1A1 (0.64) ALDH1A1LMNACYP1A2CYP2D6CYP2C9
SCHEMBL334543 0.77 MEP1A (0.47) LMNAMEN1KMT2ANPC1
SCHEMBL17763704 0.76 ALDH1A1 (0.62) ALDH1A1LMNACYP1A2CYP2D6CYP2C9
SCHEMBL4872827 0.76 TSHR (0.56) ALDH1A1LMNACYP1A2CYP2D6CYP2C9
SCHEMBL8818391 0.76 TSHR (0.56) ALDH1A1LMNACYP1A2CYP2D6CYP2C9
SCHEMBL27479597 0.76 ALDH1A1 (0.65) ALDH1A1LMNACYP1A2CYP2D6CYP2C9
SCHEMBL4872837 0.76 TSHR (0.56) ALDH1A1LMNACYP1A2CYP2D6CYP2C9
SCHEMBL27868251 0.75 CYP1A2 (0.60) ALDH1A1LMNACYP1A2CYP2D6CYP2C9

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 1939/4885LMNA 1467/4885CYP1A2 1928/4885

“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.