SCHEMBL6716039

SCHEMBL6716039

O=C(O)C1CCC(NCc2cc(=O)n3ccccc3n2)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 16/20 0.55
▸ METTL14 Q9HCE5 4/20 0.50
▸ KDM4E B2RXH2 3/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ TNKS O95271 1/20 0.48
▸ ADORA3 P0DMS8 1/20 0.46
▸ ADORA2A P29274 1/20 0.46
▸ ADORA2B P29275 1/20 0.46
▸ ADORA1 P30542 1/20 0.46
▸ MAPT P10636 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ KMT2A Q03164 1/20 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
SCHEMBL6716035 1.00 METTL3 (0.55) METTL3METTL14KDM4ESMN1; SMN2ALDH1A1
SCHEMBL30433176 0.81 METTL3 (0.49) METTL3METTL14KDM4ERXFP1ADORA3
SCHEMBL30433464 0.79 METTL3 (0.50) METTL3KDM4ERXFP1ADORA3ADORA2A
SCHEMBL5634687 0.75 KCNH2 (0.63) METTL3RXFP1MAPT
SCHEMBL30432768 0.73 METTL3 (0.50) METTL3METTL14
SCHEMBL30132372 0.72 PKM (0.57) METTL3KDM4ESMN1; SMN2ALDH1A1RXFP1
SCHEMBL22499218 0.72 METTL3 (1.00) METTL3
SCHEMBL15575017 0.71 KDM4E (0.51) METTL3KDM4ESMN1; SMN2ALDH1A1RXFP1
SCHEMBL30433263 0.70 METTL3 (0.56) METTL3METTL14KDM4EALDH1A1
SCHEMBL30433547 0.70 METTL3 (0.57) METTL3METTL14KDM4EADORA3ADORA2A

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-20040171620-A1 Nitrogen-containing bicyclic heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-09-02 — — US claimed

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-20040171620-A1 Nitrogen-containing bicyclic heterocycles for use as antibacterials NRDC, NUCB2, NDC1 METTL3 2929/4885METTL14 2417/4885KDM4E 3867/4885

“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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