SCHEMBL622658

SCHEMBL622658

COc1ccc2ncc(OCC[C@H]3CC[C@H](NC(=O)c4ccc5c(c4)NC(=O)CO5)CC3)cc2n1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
SMYD3 Q9H7B4 4/20 0.51
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 1/20 0.41
KCNH2 Q12809 1/20 0.39
RXFP1 Q9HBX9 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
SCHEMBL622640 0.87 KCNH2 (0.45) KCNH2
SCHEMBL622790 0.85 HPGD (0.48) ALDH1A1MAPTPOLBLMNA
SCHEMBL620682 0.77 HPGD (0.48) ALDH1A1LMNA
SCHEMBL621087 0.75 HPGDS (0.42) DRD2DRD3
SCHEMBL621088 0.75 HPGDS (0.42) DRD2DRD3
SCHEMBL621408 0.75 GAA (0.50) GAASMYD3DRD2DRD3MAPT
SCHEMBL621900 0.73 KCNH2 (0.43) KCNH2
SCHEMBL621901 0.73 KCNH2 (0.43) KCNH2
SCHEMBL15662324 0.71 PDGFRB (0.43)
SCHEMBL16338866 0.71 GAA (0.55) GAASMYD3DRD2DRD3ALDH1A1

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-20120040957-A1 Novel Bicyclic Antibiotics BASILEA PHARMACEUTICA AG 2012-02-16 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-20120040957-A1 Novel Bicyclic Antibiotics C5, C1S, CBR3 GAA 4233/4885SMYD3 962/4885DRD2 736/4885

“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.