SCHEMBL3065797

SCHEMBL3065797

O=C(Cn1ccc2c(Oc3ccc([N+](=O)[O-])cn3)cccc21)N1CCN(Cc2ccc3c(c2)OCO3)CC1.O=C(O)Cn1ccc2c(Oc3ccc([N+](=O)[O-])cn3)cccc21

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
LMNA P02545 3/20 0.48
KDM4E B2RXH2 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
HTT P42858 3/20 0.45
USP2 O75604 1/20 0.45
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL3056037 0.86 LMNA (0.53) ALDH1A1KMT2AMEN1LMNAKDM4E
SCHEMBL3050849 0.81 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1LMNAKDM4E
SCHEMBL3056073 0.80 GAA (0.47) ALDH1A1KMT2AMEN1LMNAL3MBTL1
SCHEMBL3059769 0.79 LMNA (0.46) ALDH1A1KMT2AMEN1LMNAKDM4E
SCHEMBL3056414 0.79 MEN1 (0.48) ALDH1A1KMT2AMEN1LMNAKDM4E
SCHEMBL3139348 0.76 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1LMNAKDM4E
SCHEMBL3128809 0.75 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1LMNAKDM4E
SCHEMBL3051007 0.74 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1LMNAKDM4E
SCHEMBL3138268 0.73 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1LMNAKDM4E
SCHEMBL3147424 0.73 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1LMNAKDM4E

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-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
EP-2207773-B1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMA CO LTD (JP) 2012-07-11 EP disclosed
US-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-10-14 US 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-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF COL1A1, COL2A1, COL14A1 ALDH1A1 741/4885KMT2A 2904/4885MEN1 275/4885

“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.