SCHEMBL1609031

SCHEMBL1609031

CCOc1cc2cc(C(=O)OC)sc2c([N+](=O)[O-])c1OCC

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP10 Q14694 1/20 0.38
MAPT P10636 3/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 1/20 0.36
COMT P21964 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 3/20 0.35
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HPGD P15428 2/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL1609305 0.81 USP10 (0.44) USP10MAPTPOLBKDM4EKMT2A
SCHEMBL1608920 0.70 COMT (0.49) USP10MAPTTDP1KDM4ECOMT
SCHEMBL1609359 0.69 PKM (0.44) MAPTPOLBTDP1KDM4ECOMT
SCHEMBL1608229 0.69 TRPV1 (0.47) KMT2AMEN1ALDH1A1
SCHEMBL18384702 0.69 SMN1; SMN2 (0.48) USP10MAPTTDP1KDM4ECOMT
SCHEMBL1608180 0.69 ERN1 (0.41) USP10MAPTPOLBTDP1KDM4E
SCHEMBL30627023 0.69 SMN1; SMN2 (0.48) USP10MAPTTDP1KDM4ECOMT
SCHEMBL10645446 0.69 STING1 (0.49) KMT2A
SCHEMBL28782701 0.69 GAA (0.45) MAPTPOLBKMT2AMEN1GAA
SCHEMBL3647920 0.68 POLB (0.42) MAPTPOLBTDP1COMTKMT2A

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 4 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

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 1148/4885POLB 1168/4885
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, CYP3A4 USP10 2864/4885MAPT 2131/4885POLB 2098/4885

“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.