SCHEMBL1608182

SCHEMBL1608182

O=C(c1sc2c([N+](=O)[O-])c(O)c(O)c(Cl)c2c1[N+](=O)[O-])N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.47
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 3/20 0.39
PKM P14618 1/20 0.39
GAA P10253 2/20 0.38
KDM4E B2RXH2 2/20 0.37
HTT P42858 1/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
COMT P21964 1/20 0.36
RAB9A P51151 1/20 0.35
MEN1 O00255 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
SCHEMBL1608198 0.92 HPGD (0.51) HPGDALDH1A1SMN1; SMN2MAPTPKM
SCHEMBL1608348 0.79 COMT (0.59) HPGDALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL1608806 0.74 HPGD (0.58) HPGDALDH1A1SMN1; SMN2MAPTPKM
SCHEMBL1608760 0.72 COMT (0.48) HPGDALDH1A1SMN1; SMN2GAAKDM4E
SCHEMBL1608790 0.70 COMT (0.43) HPGDALDH1A1SMN1; SMN2GAAKDM4E
SCHEMBL5461585 0.69 HPGD (0.55) HPGDALDH1A1SMN1; SMN2MAPTPKM
SCHEMBL1609195 0.67 GAA (0.57) HPGDALDH1A1SMN1; SMN2MAPTPKM
SCHEMBL1608786 0.67 COMT (0.61) HPGDALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL3364765 0.65
SCHEMBL1608688 0.65 COMT (0.58) HPGDALDH1A1SMN1; SMN2MAPTKDM4E

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318785-B2 Pharmaceutical compounds ORION CORPORATION (FI) 2012-11-27 US claimed
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2011-04-14 US claimed
EP-1910325-B1 NEW PHARMACEUTICAL COMPOUNDS ORION CORP (FI) 2010-10-06 EP claimed
US-20090209532-A1 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2009-08-20 US claimed
US-8318785-B2 Pharmaceutical compounds ORION CORPORATION (FI) 2012-11-27 US disclosed
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2011-04-14 US disclosed
EP-1910325-B1 NEW PHARMACEUTICAL COMPOUNDS ORION CORP (FI) 2010-10-06 EP disclosed
US-20090209532-A1 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2009-08-20 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 (2 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-20090209532-A1 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, UGT1A1 HPGD 163/4885ALDH1A1 65/4885SMN1; SMN2 1281/4885
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, CYP3A4 HPGD 611/4885ALDH1A1 233/4885SMN1; SMN2 2315/4885

“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.