SCHEMBL5450184

SCHEMBL5450184

O=C(Nc1c2c(nn1-c1cccc(Cl)c1Cl)CCC2)c1cccnc1Oc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
GAA P10253 3/20 0.47
POLB P06746 2/20 0.47
MAPK8 P45983 4/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.40
ENPP2 Q13822 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39

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
SCHEMBL4698588 0.93 GAA (0.47) ALDH1A1GAAPOLBMAPK8KMT2A
SCHEMBL5441843 0.88 TSHR (0.48) ALDH1A1GAAPOLBMAPK8KMT2A
SCHEMBL5448323 0.87 ENPP2 (0.49) ALDH1A1GAAPOLBMAPK8KMT2A
SCHEMBL5448123 0.85 ENPP2 (0.42) ALDH1A1GAAPOLBKMT2AENPP2
SCHEMBL5476310 0.83 TSHR (0.42) ALDH1A1GAAPOLBKMT2AENPP2
SCHEMBL5448293 0.81 P2RX7 (0.54) MAPK8
SCHEMBL4699709 0.74 P2RX7 (0.51)
SCHEMBL4700388 0.71 P2RX7 (0.50)
SCHEMBL5446699 0.71 MEN1 (0.53) ALDH1A1POLBKMT2AENPP2
SCHEMBL5449752 0.69 MEN1 (0.61) ALDH1A1POLBKMT2AENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070259920-A1 P2X7, receptor antagonists and uses thereof ABBOTT LABORATORIES 2007-11-08 US 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 ALDH1A1 2161/4885GAA 3104/4885POLB 4437/4885

“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.