SCHEMBL6508440

SCHEMBL6508440

CC(C)CN(C)C(=O)Cc1ccc2c(=O)c3c(sc2c1)CC(C)(C)CC3

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.34
GLS O94925 1/20 0.31
SLC34A2 O95436 1/20 0.31
PDE4B Q07343 1/20 0.30
PDE4D Q08499 1/20 0.30
S1PR1 P21453 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
SCHEMBL5740285 0.84 CYP26A1 (0.40) KIF11SLC34A2S1PR1
SCHEMBL5740408 0.80 SLC34A2 (0.35) KIF11SLC34A2PDE4BPDE4DS1PR1
SCHEMBL6508597 0.78 KIF11 (0.33) KIF11PDE4BPDE4D
SCHEMBL6506308 0.78 KIF11 (0.44) KIF11SLC34A2
SCHEMBL5740798 0.78 LIMK1 (0.33) KIF11SLC34A2S1PR1
SCHEMBL5741781 0.76 KIF11 (0.32) KIF11
SCHEMBL5740952 0.76 KIF11 (0.41) KIF11SLC34A2
SCHEMBL6510139 0.75 KMT2A (0.41) KIF11SLC34A2PDE4BPDE4D
SCHEMBL5739244 0.75 L3MBTL1 (0.33) KIF11SLC34A2
SCHEMBL5741839 0.74 RXRA (0.37) KIF11SLC34A2PDE4BPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KIF11 2553/4885GLS 2991/4885SLC34A2 2985/4885

“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.