SCHEMBL4798323

SCHEMBL4798323

CCOC(=O)c1cc2ccccc2n1Cc1ccccc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 4/20 0.85
NOD1 Q9Y239 4/20 0.85
F10 P00742 4/20 0.74
KMT2A Q03164 2/20 0.69
MEN1 O00255 1/20 0.69
CCR2 P41597 4/20 0.68
TSHR P16473 2/20 0.66
MAPT P10636 2/20 0.66
TDP1 Q9NUW8 2/20 0.66
ALDH1A1 P00352 1/20 0.66
POLB P06746 1/20 0.66
ATM Q13315 1/20 0.66
SRC P12931 1/20 0.64
KDM4E B2RXH2 2/20 0.62
CRHBP P24387 1/20 0.62
CRHR2 Q13324 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
F2 P00734 1/20 0.57
MAPK1 P28482 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53

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
SCHEMBL6302610 0.91 NOD2 (0.84) NOD2NOD1F10KMT2AMEN1
SCHEMBL6307843 0.90 NOD2 (0.74) NOD2NOD1F10KMT2AMEN1
SCHEMBL12948823 0.90 NOD2 (0.82) NOD2NOD1F10KMT2AMEN1
SCHEMBL5421098 0.90 NOD2 (0.82) NOD2NOD1F10KMT2AMEN1
SCHEMBL6706704 0.90 NOD2 (0.82) NOD2NOD1F10KMT2AMEN1
SCHEMBL6858374 0.89 NOD2 (0.80) NOD2NOD1F10KMT2AMEN1
SCHEMBL8686408 0.88 SMN1; SMN2 (0.68) NOD2NOD1F10KMT2AMEN1
SCHEMBL5213582 0.88 NOD2 (0.78) NOD2NOD1F10KMT2AMEN1
SCHEMBL1503984 0.87 NOD2 (0.67) NOD2NOD1F10KMT2AMEN1
SCHEMBL4198841 0.87 NOD2 (0.77) NOD2NOD1F10KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 US disclosed
US-20080269514-A1 Iron or Cobalt-Catalyzed Carbon-Carbon Coupling Reaction of Aryls, Alkenes and Alkines With Copper Reagents SALTIGO GMBH (DE) 2008-10-30 US disclosed
US-7342039-B2 Substituted indole oximes WYETH (US) 2008-03-11 US disclosed
CN-1882323-A Substituted benzofuran oximes WYETH CORP (US) 2006-12-20 CN disclosed
EP-1667670-A1 4-(1H-INDOL-3-YL-METHYLIDENEAMINOXY-PROPOXY)-BENZOIC ACID DERIVATIVES AND RELATED COMPOUNDS AS PAI-1 INHIBITORS FOR THE TREATMENT OF IMPAIREMENT OF THE FIBRINOLYTIC SYSTEM AND OF THROMBISIS Wyeth (US) 2006-06-14 EP disclosed
US-20050119326-A1 Substituted aryloximes WYETH (US) 2005-06-02 US disclosed
WO-2005030192-A1 4- (1H-INDOL-3-YL-METHYLIDENEAMINOXY-PROPOXY) -BENZIOC ACID DERIVATIVES AND RELATED COMPOUNDS AS PAI-1 INHIBITORS FOR THE TREATMENT OF IMPAIRMENT OF THE FIBRINOLYTIC SYSTEM AND OF THROMBISIS WYETH (US) 2005-04-07 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 (3 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-20080269514-A1 Iron or Cobalt-Catalyzed Carbon-Carbon Coupling Reaction of Aryls, Alkenes and Alkines With Copper Reagents SLC39A14, MAL2, AHR NOD2 1366/4885NOD1 3815/4885F10 1770/4885
US-20050119326-A1 Substituted aryloximes IDO2, TDO2, IDO1 NOD2 889/4885NOD1 2871/4885F10 4259/4885
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD APP, PSEN2, PSEN1 NOD2 1296/4885NOD1 1772/4885F10 1333/4885

“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.