SCHEMBL7017708

SCHEMBL7017708

CCOC(=O)c1cc([N+](=O)[O-])c(C(=O)OCC)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP10 Q14694 1/20 0.57
MAPT P10636 7/20 0.47
ALDH1A1 P00352 6/20 0.47
LMNA P02545 3/20 0.47
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GALR2 O43603 1/20 0.47
MITF O75030 1/20 0.47
HSP90AA1 P07900 1/20 0.47
HPGD P15428 1/20 0.47
XBP1 P17861 1/20 0.47
CCR6 P51684 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KDM4E B2RXH2 1/20 0.46
RAB9A P51151 4/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
NPC1 O15118 3/20 0.44
PKM P14618 1/20 0.44
CRHBP P24387 1/20 0.44

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
SCHEMBL17977274 0.86 MAPT (0.48) USP10MAPTALDH1A1LMNAPOLB
SCHEMBL17977297 0.86 USP10 (0.58) USP10MAPTALDH1A1LMNAPOLB
SCHEMBL1455300 0.84 USP10 (0.56) USP10MAPTALDH1A1LMNAPOLB
SCHEMBL3878737 0.84 USP10 (0.56) USP10MAPTALDH1A1LMNAPOLB
SCHEMBL28786633 0.84 USP10 (0.56) USP10MAPTALDH1A1LMNAPOLB
SCHEMBL10744151 0.80 USP10 (0.53) USP10MAPTALDH1A1LMNAPOLB
SCHEMBL3881580 0.80 USP10 (0.53) USP10MAPTALDH1A1LMNAPOLB
SCHEMBL3231061 0.80 USP10 (0.48) USP10MAPTALDH1A1LMNAHPGD
SCHEMBL32685857 0.77 LMNA (0.57) USP10MAPTALDH1A1LMNAPOLB
SCHEMBL9050509 0.76 USP10 (0.49) USP10MAPTALDH1A1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1370562-A1 THIENO[2,3-D]PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-12-17 EP disclosed
US-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 US disclosed
WO-2002064598-A1 THIENO'2,3-D PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 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 (1 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-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors MMP13, MMP3, MMP25 USP10 4003/4885MAPT 4800/4885ALDH1A1 812/4885

“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.