SCHEMBL1608760

SCHEMBL1608760

Cc1c(C(=O)N2CCOCC2)sc2c([N+](=O)[O-])c(O)c(O)cc12

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
COMT P21964 10/20 0.48
HPGD P15428 1/20 0.45
ALDH1A1 P00352 3/20 0.44
GAA P10253 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL1608348 0.87 COMT (0.59) COMTHPGDALDH1A1GAAKDM4E
SCHEMBL1608790 0.84 COMT (0.43) COMTHPGDALDH1A1GAAKDM4E
SCHEMBL1609195 0.76 GAA (0.57) HPGDALDH1A1GAAKDM4ESMN1; SMN2
SCHEMBL1608786 0.76 COMT (0.61) COMTHPGDALDH1A1MEN1KMT2A
SCHEMBL1609283 0.75 GPR35 (0.56) HPGDALDH1A1KDM4EMEN1KMT2A
SCHEMBL1608806 0.74 HPGD (0.58) COMTHPGDALDH1A1GAAKDM4E
SCHEMBL1608688 0.73 COMT (0.58) COMTHPGDALDH1A1KDM4EMEN1
SCHEMBL1608198 0.73 HPGD (0.51) COMTHPGDALDH1A1GAAKDM4E
SCHEMBL1608182 0.72 HPGD (0.47) COMTHPGDALDH1A1GAAKDM4E
SCHEMBL1608921 0.72 COMT (0.59) COMTHPGDALDH1A1MEN1KMT2A

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 COMT 1/4885HPGD 163/4885ALDH1A1 65/4885
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, CYP3A4 COMT 1/4885HPGD 611/4885ALDH1A1 233/4885

“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.