SCHEMBL5809202

SCHEMBL5809202

Clc1ccc(-c2nnn[nH]2)c(Cl)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.39
ALPL P05186 3/20 0.36
P2RX7 Q99572 1/20 0.32
CES1 P23141 1/20 0.32
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL1200471 0.83 NOTUM (0.42) P2RX7MAPK1
SCHEMBL9702588 0.82 ALPL (0.32) AHRALPLCES1
SCHEMBL5815364 0.76 ALDH1A1 (0.49) CES1
SCHEMBL705941 0.76 HSD11B1 (0.44) AHRALPL
Pyridine SCHEMBL5816669 0.75 P2RX7 (0.41) P2RX7MAPK1
SCHEMBL30629345 0.74 DCUN1D1 (0.47) ALPLCYP3A4
SCHEMBL1774388 0.74 DCUN1D1 (0.47) ALPLCYP3A4
SCHEMBL24690273 0.73 CYP3A4 (0.41) CYP3A4
SCHEMBL5814079 0.73 TNF (0.30)
SCHEMBL2158308 0.73 CYP3A4 (0.41) CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060211739-A1 Use of selective P2X7 receptor antagonists ABBOTT LABORATORIES 2006-09-21 US disclosed
WO-2006086229-A1 THE USE OF SELECTIVE P2X7 RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 2006-08-17 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-20060211739-A1 Use of selective P2X7 receptor antagonists P2RX1, P2RX3, P2RX7 AHR 868/4885ALPL 4674/4885P2RX7 3/4885

“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.