SCHEMBL7086963

SCHEMBL7086963

O=C(O)c1c(Br)c2cc(O)ccc2n1Cc1ccc(C(F)(F)F)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 4/20 0.55
CCR2 P41597 13/20 0.48
MAPT P10636 3/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
PPARG P37231 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PKM P14618 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.37
PLA2G2A P14555 1/20 0.37

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
SCHEMBL7084277 0.92 ABCB11 (0.63) ABCB11CCR2
SCHEMBL6781272 0.87 ABCB11 (0.71) ABCB11CCR2
SCHEMBL7089675 0.86 ABCB11 (0.48) ABCB11CCR2MAPTMEN1CYP3A4
SCHEMBL7083553 0.80 ABCB11 (0.51) ABCB11CCR2MAPTMEN1CYP3A4
SCHEMBL7089490 0.78 ABCB11 (0.84) ABCB11CCR2
SCHEMBL7083775 0.77 ABCB11 (0.78) ABCB11CCR2MAPTMEN1PPARG
SCHEMBL6302484 0.77 CCR2 (0.61) ABCB11CCR2MAPTMEN1CYP3A4
SCHEMBL7082969 0.76 ABCB11 (0.46) ABCB11CCR2MAPTPPARGPKM
SCHEMBL6599182 0.75 ABCB11 (0.73) ABCB11CCR2
SCHEMBL7082951 0.74 ABCB11 (0.43) ABCB11CCR2MAPTMEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030144339-A1 Indole derivatives as mcp-1 receptor antagonists ASTRAZENECA AB (SE) 2003-07-31 US claimed
CN-1395565-A Indole derivatives as MCP-1 receptor antagonists ASTRAZENECA AB (SE) 2003-02-05 CN claimed
EP-1252142-A1 INDOLE DERIVATIVES AS MCP-1 RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2002-10-30 EP claimed
WO-2001051466-A1 INDOLE DERIVATIVES AS MCP-1 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2001-07-19 WO claimed
US-20030144339-A1 Indole derivatives as mcp-1 receptor antagonists ASTRAZENECA AB (SE) 2003-07-31 US disclosed
CN-1395565-A Indole derivatives as MCP-1 receptor antagonists ASTRAZENECA AB (SE) 2003-02-05 CN disclosed
EP-1252142-A1 INDOLE DERIVATIVES AS MCP-1 RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2002-10-30 EP disclosed
WO-2001051466-A1 INDOLE DERIVATIVES AS MCP-1 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2001-07-19 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-20030144339-A1 Indole derivatives as mcp-1 receptor antagonists CCR2, CCR1, CCR5 ABCB11 391/4885CCR2 1/4885MAPT 3505/4885

“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.