SCHEMBL6858374

SCHEMBL6858374

CCOC(=O)c1cc2ccccc2n1Cc1ccc(OC)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 2/20 0.80
NOD1 Q9Y239 2/20 0.80
F10 P00742 3/20 0.71
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
KDM4E B2RXH2 3/20 0.57
CRHBP P24387 1/20 0.57
CRHR2 Q13324 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
PTGS2 P35354 1/20 0.55
CCR2 P41597 4/20 0.55
MAPT P10636 3/20 0.54
ALDH1A1 P00352 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
POLB P06746 1/20 0.54
TSHR P16473 1/20 0.54
ATM Q13315 1/20 0.54
SRC P12931 1/20 0.53
MAPK1 P28482 2/20 0.53
NPSR1 Q6W5P4 2/20 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
SCHEMBL4798323 0.89 NOD2 (0.85) NOD2NOD1F10KMT2AMEN1
SCHEMBL6302610 0.88 NOD2 (0.84) NOD2NOD1F10KMT2AMEN1
SCHEMBL9622481 0.87 NOD2 (0.64) NOD2NOD1F10KMT2AMEN1
SCHEMBL12948823 0.87 NOD2 (0.82) NOD2NOD1F10KMT2AMEN1
SCHEMBL6706704 0.87 NOD2 (0.82) NOD2NOD1F10KMT2AMEN1
SCHEMBL5421098 0.87 NOD2 (0.82) NOD2NOD1F10KMT2AMEN1
SCHEMBL15642607 0.85 NOD2 (0.58) NOD2NOD1F10KMT2AMEN1
SCHEMBL3964251 0.85 CCR2 (0.74) NOD2NOD1KMT2APTGS2CCR2
SCHEMBL29433700 0.85 CCR2 (0.74) NOD2NOD1KMT2APTGS2CCR2
SCHEMBL6858346 0.85 NOD2 (0.59) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6787651-B2 2-CARBOXY-SUBSTITUTED; TREATING OSTEOPENIA, OSTEOPOROSIS, CANCER, DIABETES AND ATHEROSCLEROSIS. SMITHKLINE BEECHAM CORPORATION 2004-09-07 US disclosed
EP-1341761-A1 SUBSTITUTED INDOLES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH INDOLES AND THEIR USE AS PPAR-$g(g) BINDING AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-10 EP disclosed
US-20030087902-A1 Substituted indoles, pharmaceutical compounds containing such indoles and their use as PPAR-gamma binding agents SMITHKLINE BEECHAM CORPORATION 2003-05-08 US disclosed
WO-2002030895-A1 SUBSTITUTED INDOLES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH INDOLES AND THEIR USE AS PPAR-η BINDING AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-18 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-20030087902-A1 Substituted indoles, pharmaceutical compounds containing such indoles and their use as PPAR-gamma binding agents PPARG, PPARA, PPARD NOD2 1232/4885NOD1 1810/4885F10 4531/4885

“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.