SCHEMBL4922963

SCHEMBL4922963

CCCN1Cc2nc3c(-c4cccc(OC)c4OC)cccc3c(N)c2C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.38
▸ TP53 P04637 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ PARP2 Q9UGN5 1/20 0.35
▸ GABRG2 P18507 3/20 0.35
▸ GABRB3 P28472 3/20 0.35
▸ GABRA2 P47869 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ GABRA1 P14867 2/20 0.35
▸ GABRA5 P31644 2/20 0.35
▸ GABRA3 P34903 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PDE5A O76074 1/20 0.35
▸ FGFR1 P11362 1/20 0.35
▸ FGFR2 P21802 1/20 0.35
▸ CRHR1 P34998 1/20 0.35

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
SCHEMBL4921086 0.94 CNR2 (0.37) TLR8ALDH1A1TP53LMNAPARP1
SCHEMBL2661407 0.92 PDE5A (0.41) TLR8ALDH1A1LMNAPARP1GABRG2
SCHEMBL4913419 0.90 GABRG2 (0.39) ALDH1A1TP53LMNAPARP1HTT
SCHEMBL2660984 0.90 GABRG2 (0.36) ALDH1A1TP53LMNAPARP1HTT
SCHEMBL4923490 0.89 KDM4E (0.38) TLR8ALDH1A1TP53LMNAKDM4E
SCHEMBL4921356 0.87 GABRG2 (0.37) ALDH1A1TP53LMNAPARP1HTT
SCHEMBL4916122 0.87 GABRG2 (0.39) ALDH1A1TP53GABRG2GABRB3GABRA2
SCHEMBL2656730 0.87 GABRA1 (0.49) ALDH1A1TP53LMNAPARP1HTT
SCHEMBL4922653 0.87 GABRG2 (0.49) ALDH1A1TP53LMNAPARP1HTT
SCHEMBL2661536 0.86 GABRG2 (0.49) ALDH1A1TP53GABRG2GABRB3GABRA2

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-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — US claimed
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — 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-20080318943-A1 Compounds and Uses Thereof - 848 COMT, BACE1, BDNF TLR8 233/4885ALDH1A1 442/4885TP53 1103/4885

“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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