SCHEMBL6300699

SCHEMBL6300699

CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2n1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 15/20 0.74
NOD2 Q9HC29 1/20 0.53
NOD1 Q9Y239 1/20 0.53
ABCB11 O95342 2/20 0.51
F10 P00742 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL6300419 0.92 CCR2 (0.74) CCR2NOD2NOD1F10KDM4E
SCHEMBL17060318 0.88 NOD2 (0.60) CCR2NOD2NOD1F10MAPT
SCHEMBL6302535 0.85 CCR2 (1.00) CCR2ABCB11
SCHEMBL6300934 0.85 NOD2 (0.66) CCR2NOD2NOD1ABCB11F10
SCHEMBL6300560 0.84 NOD2 (0.58) CCR2NOD2NOD1ABCB11F10
SCHEMBL6598219 0.84 CCR2 (0.71) CCR2NOD2NOD1ABCB11F10
SCHEMBL6307761 0.84 NOD2 (0.60) CCR2NOD2NOD1ABCB11F10
SCHEMBL8481856 0.84 NOD2 (0.55) CCR2NOD2NOD1F10KDM4E
SCHEMBL6307920 0.83 CCR2 (0.72) CCR2NOD2NOD1ABCB11F10
SCHEMBL6302592 0.83 NOD2 (0.57) CCR2NOD2NOD1ABCB11F10

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-6953809-B2 Monocyte chemoattractant protein-1 inhibitor compounds ZENECA LIMITED (GB) 2005-10-11 US disclosed
EP-1003504-B1 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 ANTAGONISTS ASTRAZENECA AB (SE) 2003-07-02 EP disclosed
US-20030119830-A1 Monocyte chemoattractant protein-1 inhibitor compounds ZENECA LIMITED 2003-06-26 US disclosed
US-6441004-B1 INDOLE DERIVATIVES AS ANTIINFLAMMATORY AGENTS ZENECA LIMITED (GB) 2002-08-27 US disclosed
EP-1003504-A2 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 ANTAGONISTS AstraZeneca UK Limited (GB) 2000-05-31 EP disclosed
WO-1999007351-A2 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 ANTAGONISTS ZENECA LIMITED (GB) 1999-02-18 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-20030119830-A1 Monocyte chemoattractant protein-1 inhibitor compounds CCL2, CCL11, CCR1 CCR2 4/4885NOD2 470/4885NOD1 717/4885

“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.