SCHEMBL1609305

SCHEMBL1609305

CCOc1c([N+](=O)[O-])cc2cc(C(=O)OC)sc2c1OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP10 Q14694 1/20 0.44
MAPT P10636 7/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.36
VCAM1 P19320 1/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 3/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 1/20 0.35
GALR2 O43603 1/20 0.35
MITF O75030 1/20 0.35
POLB P06746 1/20 0.35
HSP90AA1 P07900 1/20 0.35
XBP1 P17861 1/20 0.35
CCR6 P51684 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PDGFRB P09619 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
SCHEMBL1609031 0.81 USP10 (0.38) USP10MAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL1608180 0.78 ERN1 (0.41) USP10MAPTRAB9ASMN1; SMN2VCAM1
SCHEMBL2893152 0.73 ALDH1A1 (0.49) USP10MAPTSMN1; SMN2VCAM1ALDH1A1
SCHEMBL28480585 0.71 USP10 (0.47) USP10MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL18384499 0.70 KDM4E (0.41) USP10MAPTSMN1; SMN2VCAM1ALDH1A1
SCHEMBL18384524 0.70 MAPT (0.41) USP10MAPTSMN1; SMN2VCAM1ALDH1A1
SCHEMBL3647920 0.69 POLB (0.42) MAPTSMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL16396109 0.69 PTPN2 (0.51) USP10MAPTSMN1; SMN2VCAM1ALDH1A1
SCHEMBL19433565 0.69 LMNA (0.45) USP10MAPTSMN1; SMN2VCAM1ALDH1A1
SCHEMBL16396141 0.69 HDAC3 (0.46) MAPTRAB9ASMN1; SMN2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 USP10 2855/4885MAPT 1148/4885NPC1 558/4885
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, CYP3A4 USP10 2864/4885MAPT 2131/4885NPC1 1824/4885

“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.