SCHEMBL5128181

SCHEMBL5128181

Nc1c(Cl)ccc2nc(N3CCN(C(=O)O)CC3)ccc12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 3/20 0.43
▸ HTR3A P46098 2/20 0.42
▸ P2RX7 Q99572 5/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NCF1 P14598 1/20 0.38
▸ HCAR2 Q8TDS4 1/20 0.37
▸ HRH4 Q9H3N8 1/20 0.37
▸ MALT1 Q9UDY8 1/20 0.37
▸ SMO Q99835 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL3837306 0.82 LMNA (0.53) MAP4K4P2RX7KDM4EGAA
SCHEMBL5237714 0.81 HTR1A (0.51) HTR3AKDM4EALDH1A1HRH3SMN1; SMN2
SCHEMBL4779101 0.80 NPC1 (0.51) HTR3AKDM4EALDH1A1SMN1; SMN2NCF1
SCHEMBL5317342 0.76 HTR3A (0.66) HTR3AKDM4EALDH1A1HRH3SMN1; SMN2
SCHEMBL4918026 0.75 P2RX7 (0.55) P2RX7
SCHEMBL5122944 0.75 SHMT2 (0.62) KDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL12723984 0.73 HCAR2 (0.55) HTR3AKDM4EALDH1A1SMN1; SMN2HCAR2
SCHEMBL19989300 0.73 ALDH1A1 (0.50) HTR3AKDM4EALDH1A1NCF1GAA
SCHEMBL27881018 0.73 MAP4K4 (0.46) MAP4K4HTR3AKDM4EALDH1A1SMN1; SMN2
SCHEMBL5239212 0.72 KDM4E (0.68) HTR3AKDM4EALDH1A1HRH3SMN1; 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 4 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 disclosed
CN-1829694-A quinoline derivatives and their use in therapy ASTRAZENECA AB (SE) 2006-09-06 — — CN 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 MAP4K4 2927/4885HTR3A 673/4885P2RX7 91/4885

“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.

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