SCHEMBL1608166

SCHEMBL1608166

Cc1nc2cc(O)c(O)c([N+](=O)[O-])c2s1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
COMT P21964 11/20 0.43
POLB P06746 2/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GPR35 Q9HC97 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
SCHEMBL30076339 0.80 MAPT (0.49) MAPTALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL28991131 0.80 MAPT (0.49) MAPTALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL1609346 0.76 COMT (0.43) MAPTALDH1A1HPGDSMN1; SMN2COMT
SCHEMBL1608154 0.75 APP (0.39) COMTRAB9A
SCHEMBL615467 0.74 ALDH1A1 (0.53) MAPTALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL8688497 0.74 SMN1; SMN2 (0.48) MAPTALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL13935179 0.73 COMT (0.39) ALDH1A1HPGDSMN1; SMN2COMTRAB9A
SCHEMBL25293759 0.71 SMN1; SMN2 (0.55) MAPTALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL11785923 0.71 SMN1; SMN2 (0.51) MAPTALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL2404277 0.70 MEN1 (0.51) MAPTALDH1A1HPGDHTTSMN1; SMN2

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 12 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
EP-1910325-A2 NEW PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2008-04-16 EP claimed
WO-2007010085-A2 NEW PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2007-01-25 WO 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
EP-1910325-A2 NEW PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2008-04-16 EP disclosed
WO-2007010085-A2 NEW PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2007-01-25 WO 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 MAPT 1148/4885ALDH1A1 65/4885HPGD 163/4885
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, CYP3A4 MAPT 2131/4885ALDH1A1 233/4885HPGD 611/4885

“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.