SCHEMBL6687874

SCHEMBL6687874

CCC1SC(=O)N(Cc2ccccc2NC(=O)c2c[nH]cn2)N=C1c1ccc(OC)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
PDE4D Q08499 13/20 0.41
PDE4A P27815 12/20 0.41
PDE4B Q07343 12/20 0.41
PDE4C Q08493 12/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 2/20 0.38
TP53 P04637 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
THRB P10828 2/20 0.38
MEN1 O00255 1/20 0.38
CHEK1 O14757 1/20 0.37

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
SCHEMBL6657871 0.89 PDE4A (0.45) MAPTPDE4DPDE4APDE4BPDE4C
SCHEMBL6655994 0.88 PDE4D (0.42) MAPTPDE4DPDE4APDE4BPDE4C
SCHEMBL6688701 0.88 PDE4D (0.44) MAPTPDE4DPDE4APDE4BPDE4C
SCHEMBL6658287 0.87 PDE4D (0.44) MAPTPDE4DPDE4APDE4BPDE4C
SCHEMBL6685528 0.87 PDE4D (0.45) PDE4DPDE4APDE4BPDE4C
SCHEMBL6659326 0.86 KMT2A (0.44) MAPTPDE4DPDE4APDE4BPDE4C
SCHEMBL6656703 0.85 SMN1; SMN2 (0.42) MAPTPDE4DPDE4APDE4BPDE4C
SCHEMBL6675577 0.85 MAPT (0.42) MAPTPDE4DPDE4APDE4BPDE4C
SCHEMBL6687033 0.85 MAPT (0.42) MAPTPDE4DPDE4APDE4BPDE4C
SCHEMBL6662064 0.85 PDE4D (0.42) MAPTPDE4DPDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040235845-A1 Use of phosphodiesterase iv inhibitors MERCK PATENT GESSELSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2004-11-25 US disclosed
EP-1435958-A1 USE OF PHOSPHORODIESTERASE IV INHIBITORS MERCK PATENT GmbH (DE) 2004-07-14 EP disclosed
WO-2003032993-A1 USE OF PHOSPHORODIESTERASE IV INHIBITORS MERCK PATENT GMBH (DE) 2003-04-24 WO disclosed
EP-0763534-B1 Arylalkyl-diazinone derivatives as phosphodiesterase IV inhibitors MERCK PATENT GMBH (DE) 2003-02-26 EP disclosed
US-5859008-A Arylalkyl diazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-01-12 US disclosed
EP-0763534-A1 Arylalkyl-diazinone derivatives as phosphodiesterase IV inhibitors MERCK PATENT GmbH (DE) 1997-03-19 EP 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-20040235845-A1 Use of phosphodiesterase iv inhibitors PDE4A, PDE3A, PDE3B MAPT 3595/4885PDE4D 12/4885PDE4A 1/4885

“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.