SCHEMBL6502479

SCHEMBL6502479

CCOC(=O)CCCOc1cc(C)c2nc(C)[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.50
PDE3A Q14432 4/20 0.50
P2RY12 Q9H244 3/20 0.50
CYSLTR2 Q9NS75 3/20 0.45
CYSLTR1 Q9Y271 3/20 0.45
BRD4 O60885 1/20 0.45
MCL1 Q07820 1/20 0.41
MAPK1 P28482 1/20 0.40
MMP13 P45452 1/20 0.40
TNF P01375 1/20 0.39
FAAH O00519 2/20 0.39
PDK2 Q15119 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
FFAR1 O14842 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL6499830 0.92 PDE3B (0.49) PDE3BPDE3AP2RY12CYSLTR2CYSLTR1
SCHEMBL6491891 0.88 PDE3B (0.48) PDE3BPDE3AP2RY12CYSLTR2CYSLTR1
SCHEMBL6923484 0.86 MCL1 (0.47) PDE3BPDE3AP2RY12CYSLTR2CYSLTR1
SCHEMBL6491030 0.85 PDE3B (0.46) PDE3BPDE3AP2RY12CYSLTR2CYSLTR1
SCHEMBL6498708 0.85 MAPK1 (0.48) PDE3BPDE3AP2RY12CYSLTR2CYSLTR1
SCHEMBL6490931 0.80 PPARA (0.35) PDE3BPDE3AP2RY12MCL1
SCHEMBL6492328 0.77 PDE3B (0.46) PDE3BPDE3AP2RY12CYSLTR2CYSLTR1
SCHEMBL4389091 0.72 BRD4 (0.53) PDE3BPDE3AP2RY12CYSLTR2CYSLTR1
SCHEMBL6487097 0.72 CA12 (0.46) MAPK1MMP13KDM4EPOLBMAPT
SCHEMBL21533500 0.72 BRD4 (0.64) PDE3BPDE3AP2RY12CYSLTR2CYSLTR1

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-20050014812-A1 Benzimidazole compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-01-20 US disclosed
WO-2004108686-A2 BENZIMIDAZOLE COMPOUNDS HAVING HYPOGLYCEMIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-16 WO 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-20050014812-A1 Benzimidazole compounds SLC5A1, SLC5A2, G6PD PDE3B 411/4885PDE3A 733/4885P2RY12 2028/4885

“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.