SCHEMBL5114810

SCHEMBL5114810

O=C(NCCC1CCCCC1)c1cc(-c2cccnc2C(=O)O)ccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 9/20 0.57
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
CHRM1 P11229 1/20 0.44
KMT2A Q03164 2/20 0.42
ADORA2A P29274 1/20 0.41
MEN1 O00255 1/20 0.41
CHRM4 P08173 1/20 0.40
IL1B P01584 1/20 0.40

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
SCHEMBL5115577 0.90 P2RX7 (0.69) P2RX7KDM4EALDH1A1GAACHRM1
SCHEMBL27698865 0.90 P2RX7 (0.53) P2RX7CHRM1KMT2AMEN1CHRM4
SCHEMBL5115009 0.85 P2RX7 (0.63) P2RX7ALDH1A1CHRM1KMT2AMEN1
SCHEMBL5119633 0.82 P2RX7 (0.84) P2RX7CHRM1KMT2AMEN1CHRM4
SCHEMBL5110613 0.81 P2RX7 (0.44) P2RX7KMT2AMEN1
SCHEMBL5115561 0.80 P2RX7 (0.45) P2RX7CHRM1KMT2AMEN1CHRM4
SCHEMBL5111394 0.80 P2RX7 (0.73) P2RX7
SCHEMBL4880198 0.79 P2RX7 (0.57) P2RX7KMT2A
SCHEMBL4875200 0.77 P2RX7 (0.66) P2RX7
SCHEMBL4876545 0.76 ALDH1A1 (0.51) KDM4EALDH1A1GAAKMT2AMEN1

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-20080146612-A1 Novel Biaromatic Compounds, Inhibitors of the P2X7-Receptor ASTRAZENECA AB (SE) 2008-06-19 US claimed
CN-101151239-A Novel biaromatic compounds, inhibitors of the P2X7-receptor ASTRAZENECA AB (SE) 2008-03-26 CN claimed
US-20080146612-A1 Novel Biaromatic Compounds, Inhibitors of the P2X7-Receptor ASTRAZENECA AB (SE) 2008-06-19 US disclosed
US-20080146612-A1 Novel Biaromatic Compounds, Inhibitors of the P2X7-Receptor ASTRAZENECA AB (SE) 2008-06-19 US disclosed
US-20080146612-A1 Novel Biaromatic Compounds, Inhibitors of the P2X7-Receptor ASTRAZENECA AB (SE) 2008-06-19 US disclosed
CN-101151239-A Novel biaromatic compounds, inhibitors of the P2X7-receptor ASTRAZENECA AB (SE) 2008-03-26 CN disclosed
EP-1844003-A1 NOVEL BIAROMATIC COMPOUNDS, INHIBITORS OF THE P2X7-RECEPTOR AstraZeneca AB (SE) 2007-10-17 EP disclosed
WO-2006080884-A1 NOVEL BIAROMATIC COMPOUNDS, INHIBITORS OF THE P2X7-RECEPTOR ASTRAZENECA AB (SE) 2006-08-03 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-20080146612-A1 Novel Biaromatic Compounds, Inhibitors of the P2X7-Receptor P2RX2, P2RX1, ADORA1 P2RX7 4/4885KDM4E 3654/4885ALDH1A1 719/4885

“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.