SCHEMBL5839396

SCHEMBL5839396

CSc1cccc(Oc2ncccc2C(=O)NC2CCC(NC(=O)c3cc(C)ccc3O)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.55
PDE4D Q08499 3/20 0.55
PDE4A P27815 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.47
RAB9A P51151 1/20 0.43
CNR2 P34972 4/20 0.43
CNR1 P21554 3/20 0.43
KCNH2 Q12809 1/20 0.42
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL5747125 0.93 TAS1R3 (0.50) PDE4BPDE4DPDE4AL3MBTL1RAB9A
SCHEMBL5840316 0.91 CNR2 (0.48) PDE4BPDE4DPDE4AL3MBTL1RAB9A
SCHEMBL5748019 0.87 PDE4B (0.74) PDE4BPDE4DPDE4AKCNH2
SCHEMBL5753703 0.87 RAB9A (0.47) PDE4BPDE4DL3MBTL1RAB9ACNR2
SCHEMBL5753712 0.87 RAB9A (0.47) PDE4BPDE4DL3MBTL1RAB9ACNR2
SCHEMBL8319888 0.86 RAB9A (0.47) PDE4BPDE4DL3MBTL1RAB9ACNR2
SCHEMBL5750322 0.86 RAB9A (0.59) RAB9ACNR2CNR1GAAMEN1
Hydrochloric Acid SCHEMBL5751702 0.85 RAB9A (0.46) PDE4BPDE4DL3MBTL1RAB9ACNR2
Hydrochloric Acid SCHEMBL5751698 0.85 RAB9A (0.46) PDE4BPDE4DL3MBTL1RAB9ACNR2
SCHEMBL5841178 0.85 AURKA (0.47) PDE4BPDE4DL3MBTL1RAB9ACNR2

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-7141586-B2 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC. (US) 2006-11-28 US disclosed
US-20050032838-A1 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC. 2005-02-10 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-20050032838-A1 Nicotinamide derivatives useful as PDE4 inhibitors CBR3, CBR1, PDE9A PDE4B 8/4885PDE4D 72/4885PDE4A 6/4885

“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.