SCHEMBL6079924

SCHEMBL6079924

O=C1CSc2ccc(C(=O)NC3(CO)CCNCC3)nc2N1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.39
SCN9A Q15858 2/20 0.38
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
HPGD P15428 1/20 0.33
CNR1 P21554 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
POLB P06746 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL6079062 0.80 CNR2 (0.47) CNR2
SCHEMBL5521745 0.76 PDE3B (0.35) CNR2PDE3BPDE3AHPGDALDH1A1
SCHEMBL14611166 0.76 PDE3B (0.42) PDE3BPDE3AHPGDALDH1A1LMNA
SCHEMBL13948583 0.74 HPGD (0.43) PDE3BPDE3AHPGDALDH1A1LMNA
SCHEMBL620000 0.73 HTT (0.50) PDE3BPDE3AHPGDALDH1A1LMNA
SCHEMBL3926846 0.72 HTT (0.42) PDE3BPDE3AHPGDALDH1A1LMNA
SCHEMBL1267116 0.71 ALDH1A1 (0.54) PDE3BPDE3AHPGDALDH1A1LMNA
SCHEMBL5749110 0.71 HTT (0.40) PDE3BPDE3AHPGDALDH1A1LMNA
SCHEMBL14610702 0.70 SLC6A4 (0.39) CNR2PDE3BPDE3AALDH1A1LMNA
SCHEMBL21972302 0.69 POLB (0.40) PDE3BPDE3AHPGDALDH1A1LMNA

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-20060041123-A1 Antibacterial agents GLAXO GROUP LIMITED (GB) 2006-02-23 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-20060041123-A1 Antibacterial agents NQO2, NRDC, IFNG CNR2 4489/4885SCN9A 2595/4885PDE3B 2564/4885

“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.