SCHEMBL6302597

SCHEMBL6302597

O=C(O)c1cc2cc([N+](=O)[O-])ccc2n1Cc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 11/20 0.67
NTRK1 P04629 3/20 0.50
ABCB11 O95342 3/20 0.48
SERPINE1 P05121 1/20 0.46

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
SCHEMBL6306900 0.86 CCR2 (0.71) CCR2ABCB11
SCHEMBL4204898 0.86 CCR2 (0.71) CCR2ABCB11
SCHEMBL6302582 0.84 CCR2 (0.66) CCR2NTRK1ABCB11
SCHEMBL15712743 0.83 CCR2 (0.77) CCR2SERPINE1
SCHEMBL3968100 0.81 CCR2 (0.69) CCR2NTRK1
SCHEMBL4212911 0.81 CCR2 (0.64) CCR2NTRK1ABCB11
SCHEMBL6302535 0.81 CCR2 (1.00) CCR2ABCB11
SCHEMBL6302565 0.79 CCR2 (0.67) CCR2
SCHEMBL6301018 0.79 CCR2 (0.85) CCR2SERPINE1
SCHEMBL6303252 0.79 CCR2 (0.74) CCR2ABCB11

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 4/4885NTRK1 4086/4885ABCB11 506/4885

“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.