SCHEMBL5521745

SCHEMBL5521745

O=C1CSc2ccc(C(=O)NN3CCNCC3)nc2N1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 1/20 0.34
CNR2 P34972 7/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HPGD P15428 1/20 0.33
GNAI3 P08754 1/20 0.32
GNAO1 P09471 1/20 0.32
GNAI1 P63096 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
POLB P06746 2/20 0.32
MAPT P10636 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
SCHEMBL14611166 0.79 PDE3B (0.42) PDE3BPDE3AALDH1A1HTTLMNA
SCHEMBL6079924 0.76 CNR2 (0.39) PDE3BPDE3AALDH1A1HTTLMNA
SCHEMBL620000 0.76 HTT (0.50) PDE3BPDE3AALDH1A1HTTLMNA
SCHEMBL3926846 0.74 HTT (0.42) PDE3BPDE3AALDH1A1HTTLMNA
SCHEMBL13948583 0.74 HPGD (0.43) PDE3BPDE3AALDH1A1HTTLMNA
SCHEMBL1267116 0.74 ALDH1A1 (0.54) PDE3BPDE3AALDH1A1HTTLMNA
SCHEMBL14610702 0.72 SLC6A4 (0.39) PDE3BPDE3AALDH1A1HTTLMNA
SCHEMBL17007589 0.71 PDE3B (0.42) PDE3BPDE3AALDH1A1HTTLMNA
SCHEMBL5749110 0.71 HTT (0.40) PDE3BPDE3AALDH1A1HTTLMNA
SCHEMBL5528093 0.71 KCNH2 (0.47)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070161627-A1 Antibacterial agents GLAXO GROUP LIMITED (GB) 2007-07-12 US disclosed
US-20070161627-A1 Antibacterial agents GLAXO GROUP LIMITED (GB) 2007-07-12 US disclosed
US-20070161627-A1 Antibacterial agents GLAXO GROUP LIMITED (GB) 2007-07-12 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-20070161627-A1 Antibacterial agents NQO2, NQO1, NDUFV2 PDE3B 3241/4885PDE3A 3587/4885ALDH1A1 2730/4885

“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.