SCHEMBL5739313

SCHEMBL5739313

CC1(C)CCc2c(sc3cc(/C(N)=N/O)ccc3c2=O)C1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.33
PDE4D Q08499 1/20 0.33
LIMK1 P53667 1/20 0.33
ESR1 P03372 5/20 0.31
ESR2 Q92731 5/20 0.31
ICAM1 P05362 1/20 0.31
SELE P16581 1/20 0.31
RECQL P46063 1/20 0.30
PRKCI P41743 1/20 0.30

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
SCHEMBL5739316 1.00 PDE4B (0.33) PDE4BPDE4DLIMK1ESR1ESR2
SCHEMBL5741839 0.84 RXRA (0.37) PDE4BPDE4DLIMK1
SCHEMBL5756237 0.80 TDP1 (0.34) RECQL
SCHEMBL5756243 0.80 TDP1 (0.34) RECQL
SCHEMBL5739318 0.80 KIF11 (0.32) PDE4BPDE4DLIMK1PRKCI
SCHEMBL5740233 0.80 LIMK1 (0.40) PDE4BPDE4DLIMK1ESR1ESR2
SCHEMBL5738947 0.77 LIMK1 (0.35) PDE4BPDE4DLIMK1ESR1ESR2
SCHEMBL5740408 0.77 SLC34A2 (0.35) PDE4BPDE4DLIMK1ESR1ESR2
SCHEMBL6510139 0.77 KMT2A (0.41) PDE4BPDE4D
SCHEMBL6504028 0.76 MAPK14 (0.41)

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
EP-1406891-B1 THIOCHROMENONES USED TO COMBAT PAINFUL CONDITIONS AND NEURODEGENERATIVE DISEASES BAYER HEALTHCARE AG (DE) 2006-03-22 EP disclosed
US-20050009820-A1 Thiochromenones used to combat painful conditions and neurodegenerative diseases BAYER HEALTHCARE AG (DE) 2005-01-13 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-20050009820-A1 Thiochromenones used to combat painful conditions and neurodegenerative diseases HTT, HMOX1, SNCA PDE4B 2513/4885PDE4D 3115/4885LIMK1 4255/4885

“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.