SCHEMBL5740233

SCHEMBL5740233

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 1/20 0.40
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDE4B Q07343 1/20 0.35
PDE4D Q08499 1/20 0.35
PRKCI P41743 1/20 0.31
KIF11 P52732 1/20 0.31
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 1/20 0.30
CES1 P23141 1/20 0.30
ESR1 P03372 5/20 0.30
ESR2 Q92731 5/20 0.30
EEF2K O00418 1/20 0.30
FABP4 P15090 1/20 0.30
FABP5 Q01469 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
SCHEMBL5738947 0.84 LIMK1 (0.35) LIMK1MAPTPDE4BPDE4DKIF11
SCHEMBL5740798 0.81 LIMK1 (0.33) LIMK1PRKCIKIF11
SCHEMBL5741193 0.81 POLB (0.35) LIMK1
SCHEMBL5741839 0.81 RXRA (0.37) LIMK1RAB9ASMN1; SMN2PDE4BPDE4D
SCHEMBL5740408 0.81 SLC34A2 (0.35) LIMK1PDE4BPDE4DKIF11ESR1
SCHEMBL5739313 0.80 PDE4B (0.33) LIMK1PDE4BPDE4DPRKCIESR1
SCHEMBL5739316 0.80 PDE4B (0.33) LIMK1PDE4BPDE4DPRKCIESR1
SCHEMBL5739197 0.79 LIMK1 (0.34) LIMK1MAPTHPGDPDE4BPDE4D
SCHEMBL5739066 0.78 MMP12 (0.35) LIMK1ALDH1A1SMN1; SMN2
SCHEMBL5741841 0.78 FABP4 (0.33) LIMK1PDE4BPDE4DKIF11FABP4

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 4 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
EP-1406891-A1 THIOCHROMENONES USED TO COMBAT PAINFUL CONDITIONS AND NEURODEGENERATIVE DISEASES Bayer HealthCare AG (DE) 2004-04-14 EP disclosed
WO-2003053955-A1 THIOCHROMENONES USED TO COMBAT PAINFUL CONDITIONS AND NEURODEGENERATIVE DISEASES BAYER HEALTHCARE AG (DE) 2003-07-03 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-20050009820-A1 Thiochromenones used to combat painful conditions and neurodegenerative diseases HTT, HMOX1, SNCA LIMK1 4255/4885ALDH1A1 1088/4885MAPT 29/4885

“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.