SCHEMBL5814847

SCHEMBL5814847

Fc1c(Cl)cccc1-c1nnn[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.36
LDHA P00338 1/20 0.35
NMUR2 Q9GZQ4 1/20 0.33
DCUN1D1 Q96GG9 2/20 0.33
IDO1 P14902 1/20 0.33
MAPK10 P53779 1/20 0.32
MAPK14 Q16539 1/20 0.32
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 2/20 0.32
TP53 P04637 2/20 0.32
HPGD P15428 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CYP1A2 P05177 1/20 0.32
ALPL P05186 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NR1H2 P55055 1/20 0.32

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 0.82 NOTUM (0.42) LDHADCUN1D1IDO1CYP2D6NOTUM
SCHEMBL5802414 0.82 GRK6 (0.41) DCUN1D1ALDH1A1NPC1RAB9ANOTUM
SCHEMBL30629345 0.82 DCUN1D1 (0.47) LDHADCUN1D1IDO1ALDH1A1NPC1
SCHEMBL1774388 0.82 DCUN1D1 (0.47) LDHADCUN1D1IDO1ALDH1A1NPC1
SCHEMBL1308125 0.79 CHEK1 (0.36) LDHADCUN1D1IDO1ALDH1A1NPC1
SCHEMBL15372746 0.79 IDO1 (0.45) LDHADCUN1D1IDO1ALDH1A1NPC1
SCHEMBL18687032 0.79
SCHEMBL5813224 0.77 MPL (0.43) AKR1B1NOTUM
SCHEMBL5814079 0.76 TNF (0.30)
SCHEMBL3305051 0.76 PTGES (0.46) SMN1; SMN2

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 KMO 1731/4885LDHA 2908/4885NMUR2 89/4885

“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.