SCHEMBL4698588

SCHEMBL4698588

O=C(Nc1c2c(nn1-c1cccc(Cl)c1Cl)CCC2)c1cccnc1Oc1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.47
POLB P06746 2/20 0.47
ALDH1A1 P00352 2/20 0.47
ENPP2 Q13822 1/20 0.42
TSHR P16473 1/20 0.39
MAPK8 P45983 1/20 0.39
KMT2A Q03164 3/20 0.38
GPBAR1 Q8TDU6 3/20 0.38
MEN1 O00255 2/20 0.37
KDM4E B2RXH2 2/20 0.37
P2RY1 P47900 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
ADRB3 P13945 1/20 0.36
P2RX7 Q99572 1/20 0.36

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
SCHEMBL5450184 0.93 ALDH1A1 (0.47) GAAPOLBALDH1A1ENPP2MAPK8
SCHEMBL5448123 0.83 ENPP2 (0.42) GAAPOLBALDH1A1ENPP2TSHR
SCHEMBL4699709 0.82 P2RX7 (0.51) P2RX7
SCHEMBL5476310 0.81 TSHR (0.42) GAAPOLBALDH1A1ENPP2TSHR
SCHEMBL5441843 0.81 TSHR (0.48) GAAPOLBALDH1A1ENPP2TSHR
SCHEMBL5448323 0.80 ENPP2 (0.49) GAAPOLBALDH1A1ENPP2TSHR
SCHEMBL5449744 0.77 NPC1 (0.48) ALDH1A1ENPP2KMT2AMEN1
SCHEMBL5448293 0.74 P2RX7 (0.54) MAPK8P2RX7
SCHEMBL11247603 0.72 NPC1 (0.63) GAAPOLBALDH1A1TSHRKMT2A
SCHEMBL10971064 0.72 ALDH1A1 (0.72) GAAPOLBALDH1A1TSHRMAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963275-A2 P2X7 RECEPTOR ANTAGONISTS AND USES THEREOF Abbott Laboratories (US) 2008-09-03 EP disclosed
US-20070259920-A1 P2X7, receptor antagonists and uses thereof ABBOTT LABORATORIES 2007-11-08 US disclosed
WO-2007056091-A2 2-PHENYL-2H-PYRAZ0LE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS AND USES THEREOF ABBOTT LABORATORIES (US) 2007-05-18 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-20070259920-A1 P2X7, receptor antagonists and uses thereof P2RX7, P2RX1, P2RX3 GAA 3104/4885POLB 4437/4885ALDH1A1 2161/4885

“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.