SCHEMBL5122845

SCHEMBL5122845

O=C(NCCc1ccc(Cl)cc1)c1c(Cl)ccc2nc(N3CCC(C(=O)O)CC3)ccc12

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 15/20 0.53
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
TP53 P04637 1/20 0.46
GPBAR1 Q8TDU6 2/20 0.45

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
SCHEMBL5128753 0.94 P2RX7 (0.54) P2RX7KDM4ELMNA
SCHEMBL5125855 0.89 P2RX7 (0.48) P2RX7LMNAMAPK1GPBAR1
SCHEMBL5128095 0.88 P2RX7 (0.54) P2RX7
SCHEMBL5131712 0.87 P2RX7 (0.53) P2RX7
SCHEMBL5128840 0.84 P2RX7 (0.51) P2RX7TP53
SCHEMBL5128727 0.84 P2RX7 (0.52) P2RX7KDM4E
SCHEMBL1806533 0.83 P2RX7 (0.57) P2RX7
SCHEMBL5121876 0.83 MAPT (0.51) P2RX7LMNA
SCHEMBL1804368 0.81 P2RX7 (0.69) P2RX7
SCHEMBL5122108 0.80 P2RX7 (0.54) P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080058293-A1 Quinoline Derivates and Their Use in Therapy ASTRAZENECA AB (SE) 2008-03-06 US claimed
EP-1651610-A1 QUINOLINE DERIVATES AND THEIR USE IN THERAPY AstraZeneca AB (SE) 2006-05-03 EP claimed
WO-2005009968-A1 QUINOLINE DERIVATES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2005-02-03 WO claimed
US-20080058293-A1 Quinoline Derivates and Their Use in Therapy ASTRAZENECA AB (SE) 2008-03-06 US disclosed
EP-1651610-A1 QUINOLINE DERIVATES AND THEIR USE IN THERAPY AstraZeneca AB (SE) 2006-05-03 EP disclosed
WO-2005009968-A1 QUINOLINE DERIVATES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2005-02-03 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-20080058293-A1 Quinoline Derivates and Their Use in Therapy NQO2, RECQL, CHRM1 P2RX7 91/4885KDM4E 1175/4885POLB 1523/4885

“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.